Geometry & MOs

Info

ID:	189684
PubChem CID:	77889106
Reduced:	O3H4N4C9 (1)
Stoich.:	A3B4C4D9 (1)
Weight, g/mol:	216.064726
ΔH_f, kcal/mol:	41.62
Dipole, Da:	4.8
IP(EA), eV:	-9.5(-2.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(furan-3-ylmethyl)-3a,5-dihydropyrazolo[3,4-d]pyridazin-4-one

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=NNC(=O)C3=C2N=NC3=O

DOS

IR

Vibrations