Geometry & MOs

Info

ID:	259930
PubChem CID:	103177721
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	231.183444
ΔH_f, kcal/mol:	-85.54
Dipole, Da:	3.89
IP(EA), eV:	-8.85(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methoxypropoxy)ethoxymethyl]piperidine

Drug info:

PubChemData

Smile

COCCCOCCOCC1=C(N=CC=C1)C(=S)N

DOS

IR

Vibrations