Geometry & MOs

Info

ID:

316972

PubChem CID:

126632171

Reduced:

O3N6H46C81 (1)

Stoich.:

A3B6C46D81 (1)

Weight, g/mol:

1199.38354

ΔHf, kcal/mol:

327.13

Dipole, Da:

1.55

IP(EA), eV:

 -8.38(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-dibenzofuran-2-yl-9-[2-(2-dibenzofuran-2-ylcarbazol-9-yl)-4-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinazolin-6-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC(=C4)C5=NC(=NC(=N5)N6C7=CC=CC=C7C8=C6C=C(C=C8)C9=CC1=C(C=C9)OC2=CC=CC=C21)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)OC1=CC=CC=C12)C=C(C=C3)C1=CC2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations