Geometry & MOs

Info

ID:

308696

PubChem CID:

126522392

Reduced:

N4H8C11 (2)

Stoich.:

A4B8C11 (2)

Weight, g/mol:

547.179044

ΔHf, kcal/mol:

236.66

Dipole, Da:

6.53

IP(EA), eV:

 -8.51(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC=CC=N6)/NN3

DOS

IR

Vibrations