Geometry & MOs

Info

ID:

433405

PubChem CID:

135173542

Reduced:

O5N7H35C40 (1)

Stoich.:

A5B7C35D40 (1)

Weight, g/mol:

707.285617

ΔHf, kcal/mol:

-46.77

Dipole, Da:

5.61

IP(EA), eV:

 -8.82(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-4-[4-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]benzamide

Drug info:

PubChemData

Smile

C1CC(=O)NC(C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)N6C=C(C(=N6)C7=CC=NC=C7)C8=CC9=C(C=C8)C(=O)CC9)O

DOS

IR

Vibrations