Geometry & MOs

Info

ID:

315825

PubChem CID:

126628957

Reduced:

ON4H36C51 (1)

Stoich.:

AB4C36D51 (1)

Weight, g/mol:

678.278347

ΔHf, kcal/mol:

286.82

Dipole, Da:

7.61

IP(EA), eV:

 -8.36(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole

Drug info:

PubChemData

Smile

C1CCC2(CC1)C3=CC=CC=C3C4=C2C5=C(C=C4)C6=CC=CC=C6N5C7=CC8=C(C=C7)OC9=C8C=CC=C9C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations