Geometry & MOs

Info

ID:	264638
PubChem CID:	103478681
Reduced:	ClBr2N2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	338.96617
ΔH_f, kcal/mol:	52.88
Dipole, Da:	3.0
IP(EA), eV:	-8.85(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromo-3-chloroanilino)methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Br)NCC2=NC=C(C=C2)Br

DOS

IR

Vibrations