Geometry & MOs

Info

ID:

316855

PubChem CID:

126631879

Reduced:

O3N5H63C110 (1)

Stoich.:

A3B5C63D110 (1)

Weight, g/mol:

1452.480796

ΔHf, kcal/mol:

420.05

Dipole, Da:

3.01

IP(EA), eV:

 -8.24(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC5=C(C=C4)C=C(C=C5)C6=CC7=C(C=C6)N=C(N=C7C8=CC9=C(C=C8)C=C(C=C9)N1C2=CC=CC=C2C2=C1C=C(C=C2)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