Geometry & MOs

Info

ID:

316869

PubChem CID:

126631906

Reduced:

O3N5H59C102 (1)

Stoich.:

A3B5C59D102 (1)

Weight, g/mol:

1352.449496

ΔHf, kcal/mol:

508.79

Dipole, Da:

11.29

IP(EA), eV:

 -7.11(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC5=C(C=C4)C=C(C=C5)C6=NC7=C(C=C(C=C7)C8=CC(=CC=C8)N9C1=CC=CC=C1C1=C9C=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C(=N6)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C=C(C=C3)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations