Geometry & MOs

Info

ID:	321152
PubChem CID:	126665055
Reduced:	BrSN2C19H41 (1)
Stoich.:	ABC2D19E41 (1)
Weight, g/mol:	329.299046
ΔH_f, kcal/mol:	-66.95
Dipole, Da:	12.0
IP(EA), eV:	-7.93(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-(12-aminododecyl)piperidin-1-ium-1-yl]ethanethiol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations