Geometry & MOs

Info

ID:

447840

PubChem CID:

135286195

Reduced:

FO2N8C36H37 (1)

Stoich.:

AB2C8D36E37 (1)

Weight, g/mol:

517.202637

ΔHf, kcal/mol:

44.57

Dipole, Da:

1.73

IP(EA), eV:

 -8.63(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(2-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

CC(C)(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OCCN7CCCC7)N=C2

DOS

IR

Vibrations