Geometry & MOs

Info

ID:

308836

PubChem CID:

126522861

Reduced:

FON7H26C29 (1)

Stoich.:

ABC7D26E29 (1)

Weight, g/mol:

499.212058

ΔHf, kcal/mol:

108.3

Dipole, Da:

10.96

IP(EA), eV:

 -8.53(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC(=CN=C6)O)NN4)/C=C23)F

DOS

IR

Vibrations