Geometry & MOs

Info

ID:

441261

PubChem CID:

135233851

Reduced:

ON3H37C49 (1)

Stoich.:

AB3C37D49 (1)

Weight, g/mol:

605.246713

ΔHf, kcal/mol:

178.31

Dipole, Da:

4.54

IP(EA), eV:

 -8.78(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-4-(9-naphthalen-1-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C=CC(=C2)C3=C4C(=CC=C3)OC5=C4C=C(C=C5)C6=NC(NC(N6)C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC=CC=C1

DOS

IR

Vibrations