Geometry & MOs

Info

ID:

324437

PubChem CID:

126677673

Reduced:

FO3N7C26H26 (1)

Stoich.:

AB3C7D26E26 (1)

Weight, g/mol:

510.158245

ΔHf, kcal/mol:

-39.72

Dipole, Da:

1.49

IP(EA), eV:

 -8.63(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-chloro-6-fluorophenyl)-4-[3-[(3R)-3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(C2(CCN(C2)C3=NN(C=C3)C4=CC(=NC5=C4C(=O)NC5)C6=C(C=CC=C6F)C#N)O)O

DOS

IR

Vibrations