Geometry & MOs

Info

ID:

439485

PubChem CID:

135229259

Reduced:

N2O2H19C28 (2)

Stoich.:

A2B2C19D28 (2)

Weight, g/mol:

422.199428

ΔHf, kcal/mol:

194.23

Dipole, Da:

6.93

IP(EA), eV:

 -8.75(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1,2-dimethyl-2,3-dihydroindol-3-yl)-3-(1,2-dimethylindol-3-yl)-2-benzofuran-1-one

Drug info:

PubChemData

Smile

C1C(C=C(C=C1C2=NC3=C(C=CC4=C3N=C(C=C4)C5=CC=CC=C5)C=C2)C6=NC7=C(C=CC8C7N=C(C=C8)C9=CC=C(C=C9)C(=O)OC1=CC=CC=C1)C=C6)C(=O)OC1=CC=CC=C1

DOS

IR

Vibrations