Geometry & MOs

Info

ID:	267425
PubChem CID:	103582180
Reduced:	BrClN4C13H20 (1)
Stoich.:	ABC4D13E20 (1)
Weight, g/mol:	318.02469
ΔH_f, kcal/mol:	27.28
Dipole, Da:	2.43
IP(EA), eV:	-8.62(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C2=C(C=C(C=N2)Br)Cl)CCCN

DOS

IR

Vibrations