Geometry & MOs

Info

ID:

447831

PubChem CID:

135286083

Reduced:

FN7H16C24 (1)

Stoich.:

AB7C16D24 (1)

Weight, g/mol:

517.202637

ΔHf, kcal/mol:

164.06

Dipole, Da:

7.7

IP(EA), eV:

 -8.62(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)N)/C=C32

DOS

IR

Vibrations