Geometry & MOs

Info

ID:	25562
PubChem CID:	626455
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	295.193614
ΔH_f, kcal/mol:	-94.98
Dipole, Da:	4.09
IP(EA), eV:	-8.82(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-phenyliminocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC12CC(=O)C3=C(C1CC(=O)N2)C=CC4=C3C=CC(=C4)OC

DOS

IR

Vibrations