Geometry & MOs

Info

ID:

316906

PubChem CID:

126631989

Reduced:

O3N5H57C94 (1)

Stoich.:

A3B5C57D94 (1)

Weight, g/mol:

1249.399191

ΔHf, kcal/mol:

352.52

Dipole, Da:

4.96

IP(EA), eV:

 -8.12(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(N=C(N=C1C2=CC(=CC=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7O6)C8=CC=CC=C83)C9=CC(=CC=C9)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2O3)C2=CC=CC=C21)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2O3)C2=CC=CC=C21

DOS

IR

Vibrations