Geometry & MOs

Info

ID:	20801
PubChem CID:	585781
Reduced:	OH4N4C5 (1)
Stoich.:	AB4C4D5 (1)
Weight, g/mol:	136.038511
ΔH_f, kcal/mol:	55.34
Dipole, Da:	2.27
IP(EA), eV:	-10.28(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one

Drug info:

PubChemData

Smile

C1=CC2=NN=CN2NC1=O

DOS

IR

Vibrations