Geometry & MOs

Info

ID:	276684
PubChem CID:	103824701
Reduced:	BrClNOC12H13 (1)
Stoich.:	ABCDE12F13 (1)
Weight, g/mol:	323.9665
ΔH_f, kcal/mol:	-19.3
Dipole, Da:	6.02
IP(EA), eV:	-9.1(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-2-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1CC1)C(=O)NC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations