Geometry & MOs

Info

ID:	166856
PubChem CID:	74744982
Reduced:	OSN4C12H18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	265.112307
ΔH_f, kcal/mol:	52.4
Dipole, Da:	1.18
IP(EA), eV:	-7.42(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(4-hydroxypiperidin-1-yl)methyl]-4H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-thione

Drug info:

PubChemData

Smile

C1C[NH+](CCC1O)CN2C(=S)[NH+]3C=CC=CC3=N2

DOS

IR

Vibrations