Geometry & MOs

Info

ID:	21952
PubChem CID:	594247
Reduced:	OF3H5C8 (1)
Stoich.:	AB3C5D8 (1)
Weight, g/mol:	174.029249
ΔH_f, kcal/mol:	-153.84
Dipole, Da:	3.43
IP(EA), eV:	-10.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,6-trifluorophenyl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1F)F)F

DOS

IR

Vibrations