Geometry & MOs

Info

ID:

316889

PubChem CID:

126631944

Reduced:

O3N6H56C97 (1)

Stoich.:

A3B6C56D97 (1)

Weight, g/mol:

1402.465146

ΔHf, kcal/mol:

386.39

Dipole, Da:

3.92

IP(EA), eV:

 -8.19(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC5=C(C=CC(=C5)C6=NC(=NC(=N6)C7=CC(=CC=C7)N8C9=CC=CC=C9C1=C8C=C(C=C1)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)C=C4)C=C(C=C3)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations