Geometry & MOs

Info

ID:	14230
PubChem CID:	407011
Reduced:	O2H3C4N5 (1)
Stoich.:	A2B3C4D5 (1)
Weight, g/mol:	153.028674
ΔH_f, kcal/mol:	13.12
Dipole, Da:	2.18
IP(EA), eV:	-11.09(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7a-dihydrotriazolo[4,5-d]pyrimidine-5,7-dione

Drug info:

PubChemData

Smile

C12C(=NC(=O)NC1=O)NN=N2

DOS

IR

Vibrations