Geometry & MOs

Info

ID:	321104
PubChem CID:	126664893
Reduced:	BrSN3C12H24 (1)
Stoich.:	ABC3D12E24 (1)
Weight, g/mol:	242.169094
ΔH_f, kcal/mol:	-15.96
Dipole, Da:	5.76
IP(EA), eV:	-7.83(0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-[3-(aminomethyl)imidazol-3-ium-1-yl]octane-1-thiol

Drug info:

PubChemData

Smile

C1=C[N+](=CN1CCCCCCCCS)CN.[Br-]

DOS

IR

Vibrations