Geometry & MOs

Info

ID:

432830

PubChem CID:

135172967

Reduced:

O2N4C27H32 (1)

Stoich.:

A2B4C27D32 (1)

Weight, g/mol:

501.240085

ΔHf, kcal/mol:

-10.46

Dipole, Da:

5.37

IP(EA), eV:

 -8.18(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-4-fluoro-3-(7-piperidin-1-ylimidazo[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

CCN(CC(=O)N1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O)C5=CC=CC=C5

DOS

IR

Vibrations