Geometry & MOs

Info

ID:	261505
PubChem CID:	103236907
Reduced:	NO2Cl3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	328.977712
ΔH_f, kcal/mol:	-82.7
Dipole, Da:	4.9
IP(EA), eV:	-9.51(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4,6-trichloroanilino)methyl]benzoic acid

Drug info:

PubChemData

Smile

C1CC(C1C(=O)O)NC2=C(C=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations