Geometry & MOs

Info

ID:

317065

PubChem CID:

126632399

Reduced:

O3N5H51C88 (1)

Stoich.:

A3B5C51D88 (1)

Weight, g/mol:

1438.465146

ΔHf, kcal/mol:

336.37

Dipole, Da:

2.23

IP(EA), eV:

 -8.28(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-dibenzofuran-2-yl-9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-4-[7'-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9'-spirobi[fluorene]-2'-yl]quinazolin-6-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC(=C4)C5=CC(=CC=C5)C6=CC(=NC(=N6)N7C8=C(C=C(C=C8)C9=CC1=C(C=C9)OC2=CC=CC=C21)C1=CC=CC=C17)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