Geometry & MOs

Info

ID:

315826

PubChem CID:

126628964

Reduced:

N4H34C49 (1)

Stoich.:

A4B34C49 (1)

Weight, g/mol:

772.266068

ΔHf, kcal/mol:

224.24

Dipole, Da:

3.35

IP(EA), eV:

 -7.98(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-12,12-dimethylindeno[2,1-a]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=CC7=C(CC8=C7C=CC=C8C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1)C=C6)C

DOS

IR

Vibrations