Geometry & MOs

Info

ID:

317155

PubChem CID:

126632672

Reduced:

O2N7H45C75 (1)

Stoich.:

A2B7C45D75 (1)

Weight, g/mol:

1466.518913

ΔHf, kcal/mol:

339.9

Dipole, Da:

2.28

IP(EA), eV:

 -8.06(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=NC(=NC(=N6)N7C8=C(C=C(C=C8)C9=CC1=C(C=C9)OC2=CC=CC=C21)C1=CC=CC=C17)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)OC2=CC=CC=C23)C2=CC=CC=C21

DOS

IR

Vibrations