Geometry & MOs

Info

ID:	321132
PubChem CID:	126664985
Reduced:	BrSN2C8H21 (1)
Stoich.:	ABC2D8E21 (1)
Weight, g/mol:	177.142545
ΔH_f, kcal/mol:	-18.02
Dipole, Da:	11.75
IP(EA), eV:	-7.88(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-aminobutyl-dimethyl-(2-sulfanylethyl)azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations