Geometry & MOs

Info

ID:	89758
PubChem CID:	49964401
Reduced:	OSCl2N4C11H20 (1)
Stoich.:	ABC2D4E11F20 (1)
Weight, g/mol:	356.082511
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	3.35
IP(EA), eV:	-8.96(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]ethanol;dihydrochloride

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC(=O)NC2=NC=CS2.Cl.Cl

DOS

IR

Vibrations