Geometry & MOs

Info

ID:	143543
PubChem CID:	53224121
Reduced:	ClFNO4H9C14 (1)
Stoich.:	ABCD4E9F14 (1)
Weight, g/mol:	280.071114
ΔH_f, kcal/mol:	-159.88
Dipole, Da:	4.9
IP(EA), eV:	-10.35(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenyl)-5-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)C2=CC(=C(N=C2)Cl)C(=O)O)F

DOS

IR

Vibrations