Geometry & MOs

Info

ID:	225265
PubChem CID:	85753010
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	234.081143
ΔH_f, kcal/mol:	-158.03
Dipole, Da:	3.95
IP(EA), eV:	-10.51(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-3,5-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCC1(CCC(=O)OC1C)CO

DOS

IR

Vibrations