Geometry & MOs

Info

ID:

309023

PubChem CID:

126534842

Reduced:

O3N8H22C28 (1)

Stoich.:

A3B8C22D28 (1)

Weight, g/mol:

453.134951

ΔHf, kcal/mol:

114.26

Dipole, Da:

11.65

IP(EA), eV:

 -8.37(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3Z)-3-[7-(3-fluoro-5-methoxyphenyl)imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C(=CC=NC5=N4)C6=CC7=C(C=C6)OCO7

DOS

IR

Vibrations