Geometry & MOs

Info

ID:

316970

PubChem CID:

126632169

Reduced:

O3N5H45C80 (1)

Stoich.:

A3B5C45D80 (1)

Weight, g/mol:

1200.378789

ΔHf, kcal/mol:

308.96

Dipole, Da:

2.77

IP(EA), eV:

 -8.31(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC5=C(C=C4)N=C(N=C5N6C7=CC=CC=C7C8=C6C=C(C=C8)C9=CC1=C(C=C9)OC2=CC=CC=C21)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