Geometry & MOs

Info

ID:	276857
PubChem CID:	103825477
Reduced:	BrCl2N3O3H6C12 (1)
Stoich.:	AB2C3D3E6F12 (1)
Weight, g/mol:	351.96142
ΔH_f, kcal/mol:	13.1
Dipole, Da:	5.58
IP(EA), eV:	-9.44(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(4-bromo-3-chlorophenyl)benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=CC(=NC=C2[N+](=O)[O-])Cl)Cl)Br

DOS

IR

Vibrations