Geometry & MOs

Info

ID:	126587
PubChem CID:	50968973
Reduced:	ON4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	65.86
Dipole, Da:	6.53
IP(EA), eV:	-9.33(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-ethylfuran-2-yl)-3-pyridin-3-yl-1,2,4,5-tetrahydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

C1C(C2=C(NNC2=NC1=O)C3=CN=CC=C3)CCC4=CC=CC=C4

DOS

IR

Vibrations