Geometry & MOs

Info

ID:

319171

PubChem CID:

126655258

Reduced:

FO3N6H21C23 (1)

Stoich.:

AB3C6D21E23 (1)

Weight, g/mol:

432.171002

ΔHf, kcal/mol:

-32.96

Dipole, Da:

4.39

IP(EA), eV:

 -8.56(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2,2-dimethylpyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CO[C@H]1CN(CC[C@H]1O)C2=NN(C=C2)C3=CC(=NC4=C3C(=O)NC4)C5=C(C=CC=C5F)C#N

DOS

IR

Vibrations