Geometry & MOs

Info

ID:	321163
PubChem CID:	126665075
Reduced:	BrSN2C12H29 (1)
Stoich.:	ABC2D12E29 (1)
Weight, g/mol:	233.205145
ΔH_f, kcal/mol:	-39.11
Dipole, Da:	11.66
IP(EA), eV:	-8.0(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-aminooctyl-dimethyl-(2-sulfanylethyl)azanium

Drug info:

PubChemData

Smile

C[N+](C)(CCCCCCCCN)CCS.[Br-]

DOS

IR

Vibrations