Geometry & MOs

Info

ID:

316888

PubChem CID:

126631940

Reduced:

O3N5H51C90 (1)

Stoich.:

A3B5C51D90 (1)

Weight, g/mol:

1353.444745

ΔHf, kcal/mol:

349.39

Dipole, Da:

2.29

IP(EA), eV:

 -8.31(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-dibenzofuran-3-yl-9-[3-[4-[7-(2-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-2-yl]-6-[3-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2N3C4=CC=CC=C4C5=C3C=C(C=C5)C6=CC7=C(C=C6)C8=CC=CC=C8O7)C9=NC1=C(C=C(C=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C(=N9)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations