Geometry & MOs

Info

ID:	321177
PubChem CID:	126665105
Reduced:	BrSN2C13H29 (1)
Stoich.:	ABC2D13E29 (1)
Weight, g/mol:	245.205145
ΔH_f, kcal/mol:	-34.32
Dipole, Da:	13.42
IP(EA), eV:	-7.71(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[N+](CC1)(CCCCCCN)CCS.[Br-]

DOS

IR

Vibrations