Geometry & MOs

Info

ID:	172711
PubChem CID:	75542670
Reduced:	FN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-43.71
Dipole, Da:	8.25
IP(EA), eV:	-9.04(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(2-propoxyphenyl)-1,5-dihydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=NNC2=NC(=O)CC(=C12)C3=CC(=C(C=C3)OCC4=CC=CC=C4F)OC

DOS

IR

Vibrations