Geometry & MOs

Info

ID:	253654
PubChem CID:	103119792
Reduced:	SN5H9C10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	223.089167
ΔH_f, kcal/mol:	127.51
Dipole, Da:	9.21
IP(EA), eV:	-8.59(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C3=NC(=S)NN3

DOS

IR

Vibrations