Geometry & MOs

Info

ID:	253657
PubChem CID:	103119813
Reduced:	SN5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	274.100066
ΔH_f, kcal/mol:	130.38
Dipole, Da:	7.95
IP(EA), eV:	-8.29(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropyl)-3-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C3=NNC(=S)N3C4CC4

DOS

IR

Vibrations