Geometry & MOs

Info

ID:	127029
PubChem CID:	50988089
Reduced:	ClSN4C10H19 (1)
Stoich.:	ABC4D10E19 (1)
Weight, g/mol:	226.125218
ΔH_f, kcal/mol:	-10.5
Dipole, Da:	5.06
IP(EA), eV:	-8.36(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperidin-4-yl-4-propan-2-yl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC(C)N1C(=NNC1=S)C2CCNCC2.Cl

DOS

IR

Vibrations