Geometry & MOs

Info

ID:	374501
PubChem CID:	131330563
Reduced:	FOSC9H11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	238.025307
ΔH_f, kcal/mol:	-80.31
Dipole, Da:	2.83
IP(EA), eV:	-8.92(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3-methoxy-2-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1SC)CO)F

DOS

IR

Vibrations