Geometry & MOs

Info

ID:

445162

PubChem CID:

135264731

Reduced:

N11H71C118 (1)

Stoich.:

A11B71C118 (1)

Weight, g/mol:

1168.425346

ΔHf, kcal/mol:

638.23

Dipole, Da:

8.6

IP(EA), eV:

 -8.07(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7N6C8=NC(=CC(=N8)C9=CC=CC(=C9)C#N)C1=CC=CC=C1)C1=CC=CC(=C1)C1=C2C3=CC=CC=C3N(C2=CC=C1)C1=CC=CC(=C1)C1=CC2=C(C=C1)N(C1=C2C=C(C=C1)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=CC=CC=C21)C1=NC(=CC(=N1)C1=CC=CC(=C1)C#N)C1=CC=CC=C1

DOS

IR

Vibrations