Geometry & MOs

Info

ID:	40133
PubChem CID:	8143617
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	290.143942
ΔH_f, kcal/mol:	-95.87
Dipole, Da:	4.62
IP(EA), eV:	-8.4(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(2-piperidin-1-ium-1-ylethyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN(C(=S)O2)CN3CCCC3

DOS

IR

Vibrations