Geometry & MOs

Info

ID:

437121

PubChem CID:

135215029

Reduced:

O2N3H27C46 (1)

Stoich.:

A2B3C27D46 (1)

Weight, g/mol:

678.205576

ΔHf, kcal/mol:

197.01

Dipole, Da:

4.53

IP(EA), eV:

 -8.95(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[10-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)anthracen-9-yl]-9-phenylcarbazole-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=CC(=C3)C#N)C4=C2C=C(C=C4)C5=CC(=CC=C5)C6=CC7=C(C=C6)OC8=NC9=CC=CC=C9N=C8O7)C1=CC=CC=C1

DOS

IR

Vibrations