Geometry & MOs

Info

ID:	267590
PubChem CID:	103582892
Reduced:	BrClN3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	288.99814
ΔH_f, kcal/mol:	34.77
Dipole, Da:	1.11
IP(EA), eV:	-8.8(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(5-bromo-3-chloropyridin-2-yl)-3-methylpiperazine

Drug info:

PubChemData

Smile

C1CNCC=C1CNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations