Geometry & MOs

Info

ID:	394655
PubChem CID:	135023427
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	346.079234
ΔH_f, kcal/mol:	-49.4
Dipole, Da:	1.51
IP(EA), eV:	-9.56(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-1-phenyl-2-[3-(trifluoromethyl)phenyl]butan-1-one

Drug info:

PubChemData

Smile

CC(=C)C1=C2C(CC1=O)COC2CCC=C

DOS

IR

Vibrations