Geometry & MOs

Info

ID:	6258
PubChem CID:	67682
Reduced:	OF3H7C9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	188.044899
ΔH_f, kcal/mol:	-180.08
Dipole, Da:	5.52
IP(EA), eV:	-10.6(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations