Geometry & MOs

Info

ID:	277064
PubChem CID:	103826552
Reduced:	BrClN2O3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	323.9665
ΔH_f, kcal/mol:	-8.88
Dipole, Da:	8.68
IP(EA), eV:	-9.61(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(3-methylpyridin-2-yl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations