Geometry & MOs

Info

ID:	250208
PubChem CID:	103094896
Reduced:	BrClON4H10C12 (1)
Stoich.:	ABCD4E10F12 (1)
Weight, g/mol:	306.051968
ΔH_f, kcal/mol:	23.14
Dipole, Da:	1.38
IP(EA), eV:	-8.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloropyridin-2-yl)-3-(methylamino)-2-nitrobenzamide

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=N1)Br)C(=O)NC2=C(C=CC=N2)Cl

DOS

IR

Vibrations