Geometry & MOs

Info

ID:	266894
PubChem CID:	103579923
Reduced:	BrClON2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	303.01379
ΔH_f, kcal/mol:	-25.38
Dipole, Da:	0.84
IP(EA), eV:	-8.74(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-3-chloropyridin-2-yl)-4-ethylpiperazine

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations