Geometry & MOs

Info

ID:

317150

PubChem CID:

126632664

Reduced:

ON3H20C35 (2)

Stoich.:

AB3C20D35 (2)

Weight, g/mol:

1392.503262

ΔHf, kcal/mol:

302.13

Dipole, Da:

1.23

IP(EA), eV:

 -8.12(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=NC(=CC(=N7)N8C9=CC=CC=C9C1=CC3=C(C=C18)OC1=CC=CC=C13)N1C3=CC=CC=C3C3=CC4=C(C=C31)OC1=CC=CC=C14)C1=CC=CC=C12

DOS

IR

Vibrations