Geometry & MOs

Info

ID:	412142
PubChem CID:	135085016
Reduced:	NiN4C19H37 (1)
Stoich.:	AB4C19D37 (1)
Weight, g/mol:	590.14293
ΔH_f, kcal/mol:	80.31
Dipole, Da:	1.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.798523
Charge, e:	-2

Chem-info

IUPAC name:

bromonickel;1-butyl-3-[[6-[(3-butyl-2H-benzimidazol-2-id-1-yl)methyl]pyridin-2-yl]methyl]-2H-benzimidazol-2-ide

Drug info:

PubChemData

Smile

[CH3-].CC(C)N1[CH-]N(C=C1)C(C)C.CC(C)N1[CH-]N(C=C1)C(C)C.[Ni+3]

DOS

IR

Vibrations