Geometry & MOs

Info

ID:	275531
PubChem CID:	103816518
Reduced:	BrClN3O3H9C13 (1)
Stoich.:	ABC3D3E9F13 (1)
Weight, g/mol:	334.9461
ΔH_f, kcal/mol:	8.1
Dipole, Da:	1.58
IP(EA), eV:	-9.57(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-6-chloropyridin-3-yl)-3-cyanobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(N=C2)Cl)Br)[N+](=O)[O-]

DOS

IR

Vibrations