Geometry & MOs

Info

ID:

432877

PubChem CID:

135173014

Reduced:

O2H33C45 (2)

Stoich.:

A2B33C45 (2)

Weight, g/mol:

524.20845

ΔHf, kcal/mol:

192.78

Dipole, Da:

4.96

IP(EA), eV:

 -8.01(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=C6C=CC=CC6=C(C7=CC=CC=C75)C8=C(C(=C(C(=C8C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)OC

DOS

IR

Vibrations