Geometry & MOs

Info

ID:	441255
PubChem CID:	135233837
Reduced:	ON3H39C51 (1)
Stoich.:	AB3C39D51 (1)
Weight, g/mol:	627.231063
ΔH_f, kcal/mol:	190.54
Dipole, Da:	3.7
IP(EA), eV:	-8.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-phenyldibenzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

Drug info:

PubChemData

Smile

C1C(C=CC2=C1C3=C(C=CC=C3O2)C4=NC(NC(N4)C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC(=CC(=C8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations