Geometry & MOs

Info

ID:	167329
PubChem CID:	74810072
Reduced:	OSN5C24H33 (1)
Stoich.:	ABC5D24E33 (1)
Weight, g/mol:	431.210146
ΔH_f, kcal/mol:	65.94
Dipole, Da:	15.73
IP(EA), eV:	-6.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-3-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]propanamide

Drug info:

PubChemData

Smile

C[NH+]1CCCN(CC1)C(=O)C2=C(N3C=CSC3=N2)C[NH+]4CCCC(C4)C5=CC=CC=C5

DOS

IR

Vibrations