Geometry & MOs

Info

ID:

429394

PubChem CID:

135169417

Reduced:

ON4H28C45 (1)

Stoich.:

AB4C28D45 (1)

Weight, g/mol:

731.232125

ΔHf, kcal/mol:

210.08

Dipole, Da:

3.92

IP(EA), eV:

 -8.26(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC=C4)N5C6=C(C7=C5C8=C(C=C7)N=C(O8)C9=CC=CC=C9)C1=CC=CC=C1C=C6

DOS

IR

Vibrations