Geometry & MOs

Info

ID:	269756
PubChem CID:	103618949
Reduced:	ClN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	459.92834
ΔH_f, kcal/mol:	-79.44
Dipole, Da:	4.57
IP(EA), eV:	-8.54(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-iodo-N-(6-oxo-1-propylpyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

CCCN1C=C(C=CC1=O)NC(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations