Geometry & MOs

Info

ID:	267430
PubChem CID:	103582194
Reduced:	BrClN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	332.04034
ΔH_f, kcal/mol:	52.4
Dipole, Da:	3.36
IP(EA), eV:	-8.73(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1CN)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations