Geometry & MOs

Info

ID:	138159
PubChem CID:	52320772
Reduced:	FN2O4H14C20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-110.48
Dipole, Da:	9.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.866934
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-methyl-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

C1[C@H](C2=C(C(=CN2C3=CC(=CC=C3)F)C(=O)[O-])NC1=O)C4=CC(=CC=C4)O

DOS

IR

Vibrations