Geometry & MOs

Info

ID:	25570
PubChem CID:	626471
Reduced:	CuO4C30H40 (1)
Stoich.:	AB4C30D40 (1)
Weight, g/mol:	311.142248
ΔH_f, kcal/mol:	-92.47
Dipole, Da:	11.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.949146
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2,6-diphenyl-1H-pyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)CC(=C(C)C(=O)CC1=CC=CC=C1)O.CC(C)CC(=C(C)C(=O)CC1=CC=CC=C1)O.[Cu]

DOS

IR

Vibrations