Geometry & MOs

Info

ID:

443907

PubChem CID:

135260356

Reduced:

FO2N8H29C35 (1)

Stoich.:

AB2C8D29E35 (1)

Weight, g/mol:

513.137179

ΔHf, kcal/mol:

119.01

Dipole, Da:

10.62

IP(EA), eV:

 -8.58(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C7=CC=CC=C7)NN4)/C=C32)F

DOS

IR

Vibrations