3387080
  -OEChem-05092415312D

  5  2  0     0  0  0  0  0  0999 V2000
    3.7320   -0.2500    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
3387080

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
6.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQADAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
calcium;azanidylidenecalcium

> <PUBCHEM_IUPAC_CAS_NAME>
calcium;azanidylidenecalcium

> <PUBCHEM_IUPAC_NAME_MARKUP>
calcium;azanidylidenecalcium

> <PUBCHEM_IUPAC_NAME>
calcium;azanidylidenecalcium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
calcium;azanidylidenecalcium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
calcium;amidylidenecalcium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3Ca.2N/q;;+2;2*-1

> <PUBCHEM_IUPAC_INCHIKEY>
XCNGEWCFFFJZJT-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
147.8939206

> <PUBCHEM_MOLECULAR_FORMULA>
Ca3N2

> <PUBCHEM_MOLECULAR_WEIGHT>
148.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
[N-]=[Ca].[N-]=[Ca].[Ca+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[N-]=[Ca].[N-]=[Ca].[Ca+2]

> <PUBCHEM_CACTVS_TPSA>
2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
147.8939206

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  4  7
1  5  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$