Geometry & MOs

Info

ID:

319909

PubChem CID:

126657551

Reduced:

ON8H28C29 (1)

Stoich.:

AB8C28D29 (1)

Weight, g/mol:

477.202556

ΔHf, kcal/mol:

145.27

Dipole, Da:

7.37

IP(EA), eV:

 -8.53(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1Z,3E)-1-(methylideneamino)-4-[(3Z)-3-(7-pyridin-2-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]penta-1,3-dienyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\N=C5C=CC=C(C5=N4)C6=CC=CC=N6)N=C2)O

DOS

IR

Vibrations