Geometry & MOs

Info

ID:	402722
PubChem CID:	135057019
Reduced:	ClC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	270.086764
ΔH_f, kcal/mol:	0.24
Dipole, Da:	2.23
IP(EA), eV:	-9.3(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-hydroxy-[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCC(=CCl)C(C)CC1=CC=CC=C1

DOS

IR

Vibrations