Geometry & MOs

Info

ID:

316968

PubChem CID:

126632167

Reduced:

O3N5H51C90 (1)

Stoich.:

A3B5C51D90 (1)

Weight, g/mol:

1275.414841

ΔHf, kcal/mol:

347.17

Dipole, Da:

2.56

IP(EA), eV:

 -8.33(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC5=C(C=C4)C=C(C=C5)C6=NC(=NC7=C6C=C(C=C7)N8C9=CC=CC=C9C1=C8C=C(C=C1)C1=CC2=C(C=C1)OC1=CC=CC=C12)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)OC1=CC=CC=C12)C=C(C=C3)C1=CC2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations