Geometry & MOs

Info

ID:

18471

PubChem CID:

541440

Reduced:

CuN2O6H12C14 (1)

Stoich.:

AB2C6D12E14 (1)

Weight, g/mol:

366.999133

ΔHf, kcal/mol:

-52.64

Dipole, Da:

11.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.645495

Charge, e:

 -2

Chem-info

IUPAC name:

copper;3-methoxy-6-oxidoiminocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC(=O)C(=N[O-])C=C1.COC1=CC(=O)C(=N[O-])C=C1.[Cu]

DOS

IR

Vibrations