Geometry & MOs

Info

ID:

16208

PubChem CID:

461588

Reduced:

CuN4H32C40 (1)

Stoich.:

AB4C32D40 (1)

Weight, g/mol:

631.192294

ΔHf, kcal/mol:

183.34

Dipole, Da:

11.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.385391

Charge, e:

 1

Chem-info

IUPAC name:

copper(1+);2,9-dimethyl-4-phenyl-1,10-phenanthroline

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C=CC3=C(C=C(N=C32)C)C4=CC=CC=C4.CC1=NC2=C(C=C1)C=CC3=C(C=C(N=C32)C)C4=CC=CC=C4.[Cu+]

DOS

IR

Vibrations