Geometry & MOs

Info

ID:	249563
PubChem CID:	103090478
Reduced:	NSO3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	273.17625
ΔH_f, kcal/mol:	-142.31
Dipole, Da:	6.09
IP(EA), eV:	-8.72(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-methylsulfanylbutyl)piperidin-3-yl]butanoic acid

Drug info:

PubChemData

Smile

CN(CCCCSC)C1COCC1C(=O)O

DOS

IR

Vibrations