Geometry & MOs

Info

ID:

428031

PubChem CID:

135165788

Reduced:

ON4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

689.257946

ΔHf, kcal/mol:

228.71

Dipole, Da:

4.5

IP(EA), eV:

 -7.86(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C42)C5=C(C=C3)N(C6=C5C7=CC=CC=C7C=C6)C8=NC9=CC=CC=C9C(=N8)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations