Geometry & MOs

Info

ID:	266949
PubChem CID:	103580187
Reduced:	BrClN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	347.04
ΔH_f, kcal/mol:	14.02
Dipole, Da:	2.24
IP(EA), eV:	-8.75(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(C)CCNC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations