Geometry & MOs

Info

ID:	253651
PubChem CID:	103119784
Reduced:	ClN6H9C13 (1)
Stoich.:	AB6C9D13 (1)
Weight, g/mol:	181.042216
ΔH_f, kcal/mol:	151.31
Dipole, Da:	6.23
IP(EA), eV:	-8.69(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylpyrazol-3-yl)-1,2-dihydro-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C3=NN=C4N3C(=CN=C4)Cl

DOS

IR

Vibrations