Geometry & MOs

Info

ID:

426433

PubChem CID:

135144079

Reduced:

ON4H36C57 (1)

Stoich.:

AB4C36D57 (1)

Weight, g/mol:

702.278347

ΔHf, kcal/mol:

257.39

Dipole, Da:

2.59

IP(EA), eV:

 -8.26(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC=CC(=C6)C7=CC(=CC=C7)C8=NC(=NC(=N8)C9=CC=CC=C9)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations