Geometry & MOs

Info

ID:	321150
PubChem CID:	126665053
Reduced:	BrSN2C10H23 (1)
Stoich.:	ABC2D10E23 (1)
Weight, g/mol:	203.158195
ΔH_f, kcal/mol:	-28.43
Dipole, Da:	10.08
IP(EA), eV:	-7.93(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[1-(aminomethyl)piperidin-1-ium-1-yl]butane-1-thiol

Drug info:

PubChemData

Smile

C1CC[N+](CC1)(CCCCS)CN.[Br-]

DOS

IR

Vibrations