Geometry & MOs

Info

ID:	14349
PubChem CID:	409884
Reduced:	OH2C3N6 (1)
Stoich.:	AB2C3D6 (1)
Weight, g/mol:	138.029009
ΔH_f, kcal/mol:	116.6
Dipole, Da:	3.77
IP(EA), eV:	-11.12(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7a-dihydrotriazolo[4,5-d]triazin-7-one

Drug info:

PubChemData

Smile

C12C(=NN=N1)NN=NC2=O

DOS

IR

Vibrations