Geometry & MOs

Info

ID:	261641
PubChem CID:	103243147
Reduced:	N2O3F4H8C12 (1)
Stoich.:	A2B3C4D8E12 (1)
Weight, g/mol:	249.041291
ΔH_f, kcal/mol:	-236.04
Dipole, Da:	4.92
IP(EA), eV:	-9.42(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-fluoro-3-(trifluoromethyl)anilino]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCC2=CC(=NO2)C(=O)O)C(F)(F)F)F

DOS

IR

Vibrations