Geometry & MOs

Info

ID:

309760

PubChem CID:

126557526

Reduced:

ON8H22C27 (1)

Stoich.:

AB8C22D27 (1)

Weight, g/mol:

513.137179

ΔHf, kcal/mol:

166.28

Dipole, Da:

7.33

IP(EA), eV:

 -8.5(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-(4-thiophen-2-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC=CC=N6)/NN3

DOS

IR

Vibrations