Geometry & MOs

Info

ID:

318707

PubChem CID:

126652795

Reduced:

OH56C91 (1)

Stoich.:

AB56C91 (1)

Weight, g/mol:

1167.498845

ΔHf, kcal/mol:

340.35

Dipole, Da:

3.37

IP(EA), eV:

 -8.62(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(3E)-3-[2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]imino-1-[3-(N-phenylanilino)carbazol-9-yl]ethylidene]-4-methyliminocyclohexa-1,5-dien-1-yl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1C=C(C=C2C1C3=CC=CC=C3C24C5=CC=CC=C5C6=CC=CC=C46)C(=O)C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=CC=CC=C2C2=C(C=CC=C12)C1=CC2=C(C=C1)C(=CC1=CC=CC=C12)C1=CC=CC(=C1)C1=CC2=C(C=C1)C=C(C=C2)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations