Geometry & MOs

Info

ID:	166367
PubChem CID:	74677930
Reduced:	SO4N6C22H30 (1)
Stoich.:	AB4C6D22E30 (1)
Weight, g/mol:	375.147545
ΔH_f, kcal/mol:	-161.91
Dipole, Da:	7.86
IP(EA), eV:	-8.97(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxypiperidin-1-ium-1-yl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(C)C(=O)C2=C(C3=C(S2)N=C4CCCCCN4C3=O)C)N

DOS

IR

Vibrations