Geometry & MOs

Info

ID:	321170
PubChem CID:	126665092
Reduced:	BrSN2C17H37 (1)
Stoich.:	ABC2D17E37 (1)
Weight, g/mol:	394.20173
ΔH_f, kcal/mol:	-45.59
Dipole, Da:	13.3
IP(EA), eV:	-7.35(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(11-aminoundecyl)piperidin-1-ium-1-yl]ethanethiol;bromide

Drug info:

PubChemData

Smile

CN(C)CCCCCCCC[N+]1(CCCC1)CCCS.[Br-]

DOS

IR

Vibrations