Geometry & MOs

Info

ID:	175121
PubChem CID:	75858856
Reduced:	ClNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	418.216438
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	1.62
IP(EA), eV:	-8.59(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

CN(CC1CCCO1)CC2=CC=CC=C2Cl

DOS

IR

Vibrations