Geometry & MOs

Info

ID:	250202
PubChem CID:	103094849
Reduced:	BrClON4C14H14 (1)
Stoich.:	ABCD4E14F14 (1)
Weight, g/mol:	303.11384
ΔH_f, kcal/mol:	13.39
Dipole, Da:	5.03
IP(EA), eV:	-8.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloropyridin-2-yl)-5-methyl-2-(propylamino)benzamide

Drug info:

PubChemData

Smile

CCCNC1=C(C=C(C=N1)Br)C(=O)NC2=C(C=CC=N2)Cl

DOS

IR

Vibrations