Geometry & MOs

Info

ID:	401540
PubChem CID:	135051590
Reduced:	INO2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	416.0233
ΔH_f, kcal/mol:	-45.89
Dipole, Da:	5.56
IP(EA), eV:	-9.11(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-iodo-4-methoxy-6-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC1(CC(=CC(=O)C1)NC2=C(C=CC=C2I)OC)C

DOS

IR

Vibrations