Geometry & MOs

Info

ID:	321116
PubChem CID:	126664923
Reduced:	BrSN2C8H21 (1)
Stoich.:	ABC2D8E21 (1)
Weight, g/mol:	200.122144
ΔH_f, kcal/mol:	-23.92
Dipole, Da:	11.73
IP(EA), eV:	-7.99(0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3-(4-aminobutyl)imidazol-3-ium-1-yl]ethanethiol

Drug info:

PubChemData

Smile

C[N+](C)(CCCCCS)CN.[Br-]

DOS

IR

Vibrations