Geometry & MOs

Info

ID:	123540
PubChem CID:	50853312
Reduced:	NO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	292.110919
ΔH_f, kcal/mol:	-64.28
Dipole, Da:	3.51
IP(EA), eV:	-8.65(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC[C@]23CCCC[C@@H]2[C@@H]1C(=O)C4=C3C=C(C=C4)OC

DOS

IR

Vibrations