Geometry & MOs

Info

ID:

448099

PubChem CID:

135288463

Reduced:

N3O3C34H41 (1)

Stoich.:

A3B3C34D41 (1)

Weight, g/mol:

523.186906

ΔHf, kcal/mol:

-69.27

Dipole, Da:

4.89

IP(EA), eV:

 -8.64(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-N-[5-[(3Z)-3-(4-pyridin-2-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C(=C1C(C(=O)OC)OC(C)(C)C)N3CCC(CC3)(C)C)C4=CC=CC(=C4)C5=CC=CC=C5

DOS

IR

Vibrations