Geometry & MOs

Info

ID:	5279
PubChem CID:	12889
Reduced:	O2H4F6C9 (1)
Stoich.:	A2B4C6D9 (1)
Weight, g/mol:	258.011548
ΔH_f, kcal/mol:	-379.09
Dipole, Da:	2.43
IP(EA), eV:	-11.56(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-bis(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)O

DOS

IR

Vibrations