Geometry & MOs

Info

ID:	9658
PubChem CID:	92040
Reduced:	NCl3O3H6C9 (1)
Stoich.:	AB3C3D6E9 (1)
Weight, g/mol:	280.941326
ΔH_f, kcal/mol:	-116.68
Dipole, Da:	4.36
IP(EA), eV:	-9.99(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,2,2-trichloroacetyl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)NC(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations