Geometry & MOs

Info

ID:	167213
PubChem CID:	74793597
Reduced:	ClSO2N4C23H27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	473.24452
ΔH_f, kcal/mol:	18.35
Dipole, Da:	4.8
IP(EA), eV:	-8.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-[1-[(4-chlorophenyl)methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-yl]-N-(2-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CN(CC=CC1=CC=CC=C1OC)CC2=NN=C(N2C3=CC(=CC=C3)Cl)SCCCO

DOS

IR

Vibrations