Geometry & MOs

Info

ID:	134023
PubChem CID:	51626425
Reduced:	NOC11H18 (2)
Stoich.:	ABC11D18 (2)
Weight, g/mol:	373.260351
ΔH_f, kcal/mol:	-94.17
Dipole, Da:	2.82
IP(EA), eV:	-8.72(0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-ethylphenyl)-2-[4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1(C[C@](CCO1)(CCNCCN2CCOCC2)CC3=CC=CC=C3)C

DOS

IR

Vibrations