Geometry & MOs

Info

ID:	9499
PubChem CID:	90287
Reduced:	FNOH4C5 (3)
Stoich.:	ABCD4E5 (3)
Weight, g/mol:	339.083076
ΔH_f, kcal/mol:	-235.38
Dipole, Da:	4.66
IP(EA), eV:	-8.97(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)NCC(=O)O)C(F)(F)F

DOS

IR

Vibrations