Geometry & MOs

Info

ID:	15251
PubChem CID:	434664
Reduced:	CuN2O2H28C30 (1)
Stoich.:	AB2C2D28E30 (1)
Weight, g/mol:	511.144675
ΔH_f, kcal/mol:	87.94
Dipole, Da:	8.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.935324
Charge, e:	0

Chem-info

IUPAC name:

copper;2-[N-[2-[[(2-hydroxy-5-methylphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]-4-methylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C(=NCCN=C(C2=CC=CC=C2)C3=C(C=CC(=C3)C)O)C4=CC=CC=C4.[Cu]

DOS

IR

Vibrations