Geometry & MOs

Info

ID:	1244
PubChem CID:	4037
Reduced:	NCl2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	295.016684
ΔH_f, kcal/mol:	-60.5
Dipole, Da:	6.66
IP(EA), eV:	-9.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dichloro-3-methylanilino)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl

DOS

IR

Vibrations