Geometry & MOs

Info

ID:	189685
PubChem CID:	77889107
Reduced:	ON2H4C5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	246.021147
ΔH_f, kcal/mol:	49.39
Dipole, Da:	2.69
IP(EA), eV:	-9.69(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(thiophen-2-ylmethyl)-5H-pyrazolo[3,4-d]pyridazine-3,4-dione

Drug info:

PubChemData

Smile

C1=COC=C1CC2=NNC(=O)C3C2=NN=C3

DOS

IR

Vibrations