Geometry & MOs

Info

ID:	321141
PubChem CID:	126665025
Reduced:	BrSN3C17H34 (1)
Stoich.:	ABC3D17E34 (1)
Weight, g/mol:	174.131646
ΔH_f, kcal/mol:	-33.59
Dipole, Da:	8.06
IP(EA), eV:	-9.08(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1-methylpiperidin-1-ium-1-yl)propane-1-thiol

Drug info:

PubChemData

Smile

C1=C[N+](=CN1CCS)CCCCCCCCCCCCN.[Br-]

DOS

IR

Vibrations