Geometry & MOs

Info

ID:	412083
PubChem CID:	135084949
Reduced:	B2Cu3N12C24H38 (1)
Stoich.:	A2B3C12D24E38 (1)
Weight, g/mol:	978.417772
ΔH_f, kcal/mol:	240.98
Dipole, Da:	5.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.217409
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[BH-](N1[CH-]N(C=C1)C)(N2[CH-]N(C=C2)C)N3[CH-]N(C=C3)C.[BH-](N1[CH-]N(C=C1)C)(N2[CH-]N(C=C2)C)N3[CH-]N(C=C3)C.[Cu+2].[Cu+2].[Cu+2]

DOS

IR

Vibrations