Geometry & MOs

Info

ID:	401539
PubChem CID:	135051578
Reduced:	OS2C8H8 (1)
Stoich.:	AB2C8D8 (1)
Weight, g/mol:	371.03823
ΔH_f, kcal/mol:	-24.62
Dipole, Da:	3.84
IP(EA), eV:	-8.34(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-iodo-6-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1CC2=COS3=C2C(=CS3)C1

DOS

IR

Vibrations