Geometry & MOs

Info

ID:	14872
PubChem CID:	423125
Reduced:	CuN2O2C22H30 (1)
Stoich.:	AB2C2D22E30 (1)
Weight, g/mol:	417.160325
ΔH_f, kcal/mol:	-21.02
Dipole, Da:	8.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.085726
Charge, e:	0

Chem-info

IUPAC name:

2-(tert-butyliminomethyl)phenol;copper

Drug info:

PubChemData

Smile

CC(C)(C)N=CC1=CC=CC=C1O.CC(C)(C)N=CC1=CC=CC=C1O.[Cu]

DOS

IR

Vibrations