Geometry & MOs

Info

ID:	143558
PubChem CID:	53227604
Reduced:	O2F3H11C15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	280.071114
ΔH_f, kcal/mol:	-213.1
Dipole, Da:	3.99
IP(EA), eV:	-9.81(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[3-(trifluoromethyl)phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CC(=CC=C2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations