Geometry & MOs

Info

ID:	261928
PubChem CID:	103259474
Reduced:	BrNO2H10C13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	338.96617
ΔH_f, kcal/mol:	-32.91
Dipole, Da:	5.62
IP(EA), eV:	-8.98(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-5-chloroanilino)methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)Br)C=C1N/C=C/C(=O)O

DOS

IR

Vibrations