Geometry & MOs

Info

ID:

315827

PubChem CID:

126628965

Reduced:

SN4H36C54 (1)

Stoich.:

AB4C36D54 (1)

Weight, g/mol:

650.247047

ΔHf, kcal/mol:

257.54

Dipole, Da:

2.06

IP(EA), eV:

 -8.26(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12H-indeno[2,1-a]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)C5=CC=CC=C5N4C6=CC7=C(C=C6)SC8=C7C=CC=C8C9=CC(=CC=C9)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations