Geometry & MOs

Info

ID:	3668
PubChem CID:	9963
Reduced:	O2F3H5C8 (1)
Stoich.:	A2B3C5D8 (1)
Weight, g/mol:	190.024164
ΔH_f, kcal/mol:	-219.62
Dipole, Da:	4.99
IP(EA), eV:	-10.99(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations