Geometry & MOs

Info

ID:

319172

PubChem CID:

126655262

Reduced:

FO2N6H21C23 (1)

Stoich.:

AB2C6D21E23 (1)

Weight, g/mol:

424.193013

ΔHf, kcal/mol:

-1.8

Dipole, Da:

2.43

IP(EA), eV:

 -8.4(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[7,7-dideuterio-5-oxo-4-[3-[(3S)-2,2,5,5-tetradeuterio-3-hydroxy-3-methylpyrrolidin-1-yl]pyrazol-1-yl]-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1([C@H](CCN1C2=NN(C=C2)C3=CC(=NC4=C3C(=O)NC4)C5=C(C=CC=C5F)C#N)O)C

DOS

IR

Vibrations