Geometry & MOs

Info

ID:

17475

PubChem CID:

500330

Reduced:

CuO3N7C21H21 (1)

Stoich.:

AB3C7D21E21 (1)

Weight, g/mol:

482.100185

ΔHf, kcal/mol:

37.08

Dipole, Da:

3.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.936734

Charge, e:

 0

Chem-info

IUPAC name:

copper;N-[1-[6-[C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-4-carboxamide;hydrate

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC=NC=C1)C2=NC(=CC=C2)C(=NNC(=O)C3=CC=NC=C3)C.O.[Cu]

DOS

IR

Vibrations