Geometry & MOs

Info

ID:	267427
PubChem CID:	103582184
Reduced:	BrClN4C14H22 (1)
Stoich.:	ABC4D14E22 (1)
Weight, g/mol:	346.05599
ΔH_f, kcal/mol:	23.39
Dipole, Da:	2.29
IP(EA), eV:	-8.53(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations