Geometry & MOs

Info

ID:	391603
PubChem CID:	135007017
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	220.065493
ΔH_f, kcal/mol:	-31.24
Dipole, Da:	1.5
IP(EA), eV:	-7.99(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chlorophenyl)-3-methylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC[C@H](C=O)[C@@H](C1=CC=CC=C1)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations