Geometry & MOs

Info

ID:	143571
PubChem CID:	53228280
Reduced:	NO2F4H9C14 (1)
Stoich.:	AB2C4D9E14 (1)
Weight, g/mol:	329.03112
ΔH_f, kcal/mol:	-245.27
Dipole, Da:	6.88
IP(EA), eV:	-9.22(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-fluoro-3-(trifluoromethyl)phenyl]-4-nitrobenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations