Geometry & MOs

Info

ID:

316887

PubChem CID:

126631939

Reduced:

O3N6H48C85 (1)

Stoich.:

A3B6C48D85 (1)

Weight, g/mol:

1249.399191

ΔHf, kcal/mol:

346.15

Dipole, Da:

1.97

IP(EA), eV:

 -8.39(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-dibenzofuran-3-yl-9-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)-2-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]quinazolin-6-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2N3C4=CC=CC=C4C5=C3C=C(C=C5)C6=CC7=C(C=C6)C8=CC=CC=C8O7)C9=NC(=NC(=N9)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1O2)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations