Geometry & MOs

Info

ID:	321172
PubChem CID:	126665098
Reduced:	BrSN3C7H14 (1)
Stoich.:	ABC3D7E14 (1)
Weight, g/mol:	172.090844
ΔH_f, kcal/mol:	4.67
Dipole, Da:	1.27
IP(EA), eV:	-8.21(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C[N+](=CN1CCCS)CN.[Br-]

DOS

IR

Vibrations