Geometry & MOs

Info

ID:	134048
PubChem CID:	51631576
Reduced:	N5C20H29 (1)
Stoich.:	A5B20C29 (1)
Weight, g/mol:	344.179659
ΔH_f, kcal/mol:	76.02
Dipole, Da:	3.61
IP(EA), eV:	-8.38(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(1R)-1-phenylethyl]-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CN(CC2=CC=CC=N2)CC3=C(N(N=C3)C=C)C

DOS

IR

Vibrations