Geometry & MOs

Info

ID:	325579
PubChem CID:	126684052
Reduced:	FO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	328.183858
ΔH_f, kcal/mol:	-164.52
Dipole, Da:	5.58
IP(EA), eV:	-9.22(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethylidene)-5-[3-(fluoromethyl)-5-methylphenyl]cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC2CC(=O)CC(=O)C2)CF

DOS

IR

Vibrations