Geometry & MOs

Info

ID:

310434

PubChem CID:

126580274

Reduced:

ON4H32C51 (1)

Stoich.:

AB4C32D51 (1)

Weight, g/mol:

681.198717

ΔHf, kcal/mol:

234.81

Dipole, Da:

1.43

IP(EA), eV:

 -8.31(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC3=C2OC4=C3C=CC=C4C5=CC6=C(C=C5)C7=CC=CC=C7N6C8=CC=C(C=C8)C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations