Geometry & MOs

Info

ID:

448234

PubChem CID:

135289486

Reduced:

ON8H20C29 (1)

Stoich.:

AB8C20D29 (1)

Weight, g/mol:

509.188798

ΔHf, kcal/mol:

237.0

Dipole, Da:

9.49

IP(EA), eV:

 -8.71(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]-7-pyridin-3-ylimidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C(=CC=NC6=N5)C7=CC=NC=C7

DOS

IR

Vibrations