Geometry & MOs

Info

ID:	389140
PubChem CID:	134991286
Reduced:	NO2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	513.237481
ΔH_f, kcal/mol:	-53.86
Dipole, Da:	4.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756013
Charge, e:	0

Chem-info

IUPAC name:

cobalt;(Z)-N,N-diethyl-2-hydroxy-5,5-dimethyl-4-oxohex-2-enamide

Drug info:

PubChemData

Smile

CC1(CC(CC([N+]1=O)(C)C)OCC2=CC=CC=C2)C

DOS

IR

Vibrations