Geometry & MOs

Info

ID:

316890

PubChem CID:

126631945

Reduced:

O3N5H59C102 (1)

Stoich.:

A3B5C59D102 (1)

Weight, g/mol:

1402.465146

ΔHf, kcal/mol:

388.29

Dipole, Da:

2.24

IP(EA), eV:

 -8.26(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC6=C(C=C5)N=C(N=C6C7=CC8=C(C=C7)C=C(C=C8)N9C1=C(C=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC=CC=C19)C1=CC=C(C=C1)N1C2=C(C=C(C=C2)C2=CC4=C(C=C2)C2=CC=CC=C2O4)C2=CC=CC=C21)C=CC(=C3)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations