Geometry & MOs

Info

ID:	143551
PubChem CID:	53226596
Reduced:	F2O3H10C14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	260.060407
ΔH_f, kcal/mol:	-171.58
Dipole, Da:	3.36
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5-methylphenyl)-2-methylbenzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)C2=C(C(=CC=C2)F)C(=O)O

DOS

IR

Vibrations