Geometry & MOs

Info

ID:

447900

PubChem CID:

135286671

Reduced:

FON7H24C29 (1)

Stoich.:

ABC7D24E29 (1)

Weight, g/mol:

517.202637

ΔHf, kcal/mol:

115.06

Dipole, Da:

4.68

IP(EA), eV:

 -8.87(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(2-fluorophenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=CN=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CC(=CC(=C7)F)O)/NN4

DOS

IR

Vibrations