Geometry & MOs

Info

ID:	267437
PubChem CID:	103582221
Reduced:	BrClON3C11H13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	342.02469
ΔH_f, kcal/mol:	17.42
Dipole, Da:	4.04
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-bromo-3-chloropyridin-2-yl)piperazin-1-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

COCCN(CCC#N)C1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations