Geometry & MOs

Info

ID:	130979
PubChem CID:	51138287
Reduced:	SO2F3N4H15C20 (1)
Stoich.:	AB2C3D4E15F20 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	3.61
IP(EA), eV:	-9.17(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-yl)-1,3-dimethyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)SCC2=C(C=CC(=C2)/C=C(\C#N)/C(=O)N)OC)C(F)(F)F

DOS

IR

Vibrations