Geometry & MOs

Info

ID:

316860

PubChem CID:

126631891

Reduced:

O3N5H59C102 (1)

Stoich.:

A3B5C59D102 (1)

Weight, g/mol:

1352.449496

ΔHf, kcal/mol:

389.58

Dipole, Da:

3.1

IP(EA), eV:

 -8.26(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[2,4-bis[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]quinazolin-6-yl]phenyl]-2-dibenzofuran-3-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC6=C(C=C5)N=C(N=C6C7=CC=C(C=C7)N8C9=CC=CC=C9C1=C8C=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC2=C(C=C1)C=C(C=C2)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