Geometry & MOs

Info

ID:

447843

PubChem CID:

135286264

Reduced:

FON8H27C31 (1)

Stoich.:

ABC8D27E31 (1)

Weight, g/mol:

438.124052

ΔHf, kcal/mol:

107.52

Dipole, Da:

9.02

IP(EA), eV:

 -8.57(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-(3-fluoro-5-hydroxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

C1CNCCC1CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC=CC=C7F)N=C3

DOS

IR

Vibrations