Geometry & MOs

Info

ID:

448022

PubChem CID:

135287694

Reduced:

OF2N6H22C25 (1)

Stoich.:

AB2C6D22E25 (1)

Weight, g/mol:

508.193549

ΔHf, kcal/mol:

22.69

Dipole, Da:

3.72

IP(EA), eV:

 -9.63(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-3-ylpyrrolo[2,3-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@]1(C3=NN=C(C=C23)C4=C(C=CC=C4F)F)C5=CC=CC(=N5)C6=NNC(=N6)CO)C

DOS

IR

Vibrations