Geometry & MOs

Info

ID:	204842
PubChem CID:	80016610
Reduced:	NSO2C12H27 (1)
Stoich.:	ABC2D12E27 (1)
Weight, g/mol:	203.134385
ΔH_f, kcal/mol:	-106.21
Dipole, Da:	2.63
IP(EA), eV:	-8.76(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethoxypiperidin-1-yl)propane-1-thiol

Drug info:

PubChemData

Smile

CCC(CN(CCOC)C(C)COC)CS

DOS

IR

Vibrations