Geometry & MOs

Info

ID:	267566
PubChem CID:	103582723
Reduced:	BrClN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	318.02469
ΔH_f, kcal/mol:	52.83
Dipole, Da:	1.26
IP(EA), eV:	-8.87(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1C2C(C2NC3=C(C=C(C=N3)Br)Cl)CN1

DOS

IR

Vibrations