Geometry & MOs

Info

ID:

448000

PubChem CID:

135287466

Reduced:

FO2N8H25C29 (1)

Stoich.:

AB2C8D25E29 (1)

Weight, g/mol:

427.101543

ΔHf, kcal/mol:

97.69

Dipole, Da:

8.4

IP(EA), eV:

 -8.8(-2.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3E)-3-[4-(5-fluorothiophen-2-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=NC=CC4=N/C(=C/5\C6=C(C=CC(=N6)C7=CC(=CN=C7)O)NN5)/N=C43)F

DOS

IR

Vibrations