Geometry & MOs

Info

ID:	143557
PubChem CID:	53227403
Reduced:	FO2H4C7 (2)
Stoich.:	AB2C4D7 (2)
Weight, g/mol:	280.071114
ΔH_f, kcal/mol:	-209.02
Dipole, Da:	4.87
IP(EA), eV:	-10.55(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[3-(trifluoromethyl)phenyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)F)C2=C(C=CC(=C2)C(=O)O)F

DOS

IR

Vibrations