Geometry & MOs

Info

ID:

316883

PubChem CID:

126631927

Reduced:

ON3H29C49 (2)

Stoich.:

AB3C29D49 (2)

Weight, g/mol:

1199.38354

ΔHf, kcal/mol:

403.6

Dipole, Da:

3.87

IP(EA), eV:

 -8.32(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5C7=CC=CC(=C7)C8=CC(=NC(=N8)C9=CC1=C(C=C9)C=C(C=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations