Geometry & MOs

Info

ID:

316505

PubChem CID:

126631048

Reduced:

O3N5H45C80 (1)

Stoich.:

A3B5C45D80 (1)

Weight, g/mol:

1304.558652

ΔHf, kcal/mol:

308.16

Dipole, Da:

3.92

IP(EA), eV:

 -8.2(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[4,6-bis[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC(=C4)C5=CC6=C(C=C5)N=C(N=C6C7=CC(=CC=C7)N8C9=C(C1=CC=CC=C18)C1=C(C=C9)C2=CC=CC=C2O1)C1=CC(=CC=C1)N1C2=C(C4=CC=CC=C41)C1=C(C=C2)C2=CC=CC=C2O1)C=CC1=C3OC2=CC=CC=C12

DOS

IR

Vibrations