Geometry & MOs

Info

ID:

432986

PubChem CID:

135173123

Reduced:

N2H19C28 (2)

Stoich.:

A2B19C28 (2)

Weight, g/mol:

552.219764

ΔHf, kcal/mol:

282.68

Dipole, Da:

3.31

IP(EA), eV:

 -8.48(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl-[[5-[(3Z)-4-fluoro-3-[7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)N4C5=C(C=C(C=C5)C6=CC7C(C=C6)C(C8=CC=CC=C78)(C9=CC=CC=C9)C1=CC=CC=N1)C1=C4C=CC2=CC=CC=C21

DOS

IR

Vibrations