Geometry & MOs

Info

ID:	267431
PubChem CID:	103582204
Reduced:	BrClN4C12H18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	360.07164
ΔH_f, kcal/mol:	31.46
Dipole, Da:	1.96
IP(EA), eV:	-8.77(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN)N1CCN(CC1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations