Geometry & MOs

Info

ID:	25820
PubChem CID:	631230
Reduced:	O2C12H17 (2)
Stoich.:	A2B12C17 (2)
Weight, g/mol:	343.082013
ΔH_f, kcal/mol:	-160.15
Dipole, Da:	3.97
IP(EA), eV:	-8.0(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-(2-fluoro-N-(2-fluorophenyl)anilino)benzoic acid

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)OC(C)C)OC(C)C

DOS

IR

Vibrations