Geometry & MOs

Info

ID:

441405

PubChem CID:

135234540

Reduced:

HN3C5 (4)

Stoich.:

AB3C5 (4)

Weight, g/mol:

525.202556

ΔHf, kcal/mol:

390.77

Dipole, Da:

0.75

IP(EA), eV:

 -10.71(-3.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-1-[[5-[(3Z)-3-(7-pyridin-4-ylimidazo[4,5-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]ethanol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C3=CN=C4C(=N3)N=C(C(=N4)C#N)C#N)N=C5C(=N2)N=C(C(=N5)C#N)C#N

DOS

IR

Vibrations