Geometry & MOs

Info

ID:	28865
PubChem CID:	830133
Reduced:	NO2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	179.026566
ΔH_f, kcal/mol:	-164.3
Dipole, Da:	4.68
IP(EA), eV:	-9.59(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-pyrazin-2-yl-1,2-dihydro-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=CNC(=O)NC1=O)C

DOS

IR

Vibrations