Geometry & MOs

Info

ID:

447986

PubChem CID:

135287334

Reduced:

FN10H25C26 (1)

Stoich.:

AB10C25D26 (1)

Weight, g/mol:

521.197551

ΔHf, kcal/mol:

183.4

Dipole, Da:

6.59

IP(EA), eV:

 -8.54(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-5-[(2E)-2-[5-(5-piperidin-4-yloxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]pyrrolo[2,3-c]pyridin-4-yl]phenol

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CC(=CC(=C6)F)NCCN(C)C

DOS

IR

Vibrations