Geometry & MOs

Info

ID:

447963

PubChem CID:

135287161

Reduced:

O3N8H26C30 (1)

Stoich.:

A3B8C26D30 (1)

Weight, g/mol:

508.213536

ΔHf, kcal/mol:

92.84

Dipole, Da:

5.27

IP(EA), eV:

 -8.69(-2.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3E)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CC7=C(C=C6)OCO7

DOS

IR

Vibrations