Geometry & MOs

Info

ID:	321160
PubChem CID:	126665071
Reduced:	BrSN2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	197.111245
ΔH_f, kcal/mol:	5.24
Dipole, Da:	5.38
IP(EA), eV:	-7.77(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(3-aminopropyl)pyridin-1-ium-1-yl]ethanethiol

Drug info:

PubChemData

Smile

C1=C[N+](=CC=C1CCCN)CCS.[Br-]

DOS

IR

Vibrations