Geometry & MOs

Info

ID:	123541
PubChem CID:	50853313
Reduced:	OCl2N2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-98.43
Dipole, Da:	7.74
IP(EA), eV:	-9.21(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzylpiperazin-2-yl)ethanol

Drug info:

PubChemData

Smile

C1CN(C(CN1)CCO)CC2=CC=CC=C2.Cl.Cl

DOS

IR

Vibrations