Geometry & MOs

Info

ID:	271835
PubChem CID:	103693613
Reduced:	NCl2O3H5C10 (1)
Stoich.:	AB2C3D5E10 (1)
Weight, g/mol:	231.069557
ΔH_f, kcal/mol:	-45.74
Dipole, Da:	5.82
IP(EA), eV:	-10.07(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-methylphenyl)pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=NO2)C(=O)O

DOS

IR

Vibrations