Geometry & MOs

Info

ID:	276859
PubChem CID:	103825481
Reduced:	BrClN3O3H9C13 (1)
Stoich.:	ABC3D3E9F13 (1)
Weight, g/mol:	285.95085
ΔH_f, kcal/mol:	-8.6
Dipole, Da:	4.99
IP(EA), eV:	-9.38(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-2-cyanopropanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)NC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations