Geometry & MOs

Info

ID:	321154
PubChem CID:	126665057
Reduced:	BrSN2C12H27 (1)
Stoich.:	ABC2D12E27 (1)
Weight, g/mol:	231.189495
ΔH_f, kcal/mol:	-29.5
Dipole, Da:	9.97
IP(EA), eV:	-7.77(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-(6-aminohexyl)pyrrolidin-1-ium-1-yl]ethanethiol

Drug info:

PubChemData

Smile

C1CC[N+](C1)(CCCCCCN)CCS.[Br-]

DOS

IR

Vibrations