Geometry & MOs

Info

ID:

317068

PubChem CID:

126632415

Reduced:

O3N5H55C94 (1)

Stoich.:

A3B5C55D94 (1)

Weight, g/mol:

1351.454247

ΔHf, kcal/mol:

372.47

Dipole, Da:

5.3

IP(EA), eV:

 -8.03(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[4,5-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-6-yl]phenyl]-3-dibenzofuran-2-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC(=C4)C5=CC(=NN=C5C6=CC(=CC=C6)N7C8=C(C=C(C=C8)C9=CC1=C(C=C9)OC2=CC=CC=C21)C1=CC=CC=C17)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC4=C(C=C2)OC2=CC=CC=C24)C2=CC=CC=C21)C=CC(=C3)C1=CC2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations