Geometry & MOs

Info

ID:

310426

PubChem CID:

126580155

Reduced:

ON2H28C46 (1)

Stoich.:

AB2C28D46 (1)

Weight, g/mol:

624.220164

ΔHf, kcal/mol:

186.56

Dipole, Da:

3.75

IP(EA), eV:

 -7.89(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-dibenzofuran-4-ylphenyl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=CC4=CC=CC=C43)C5=C2C6=C(C=C5)C7=CC=CC=C7N6C8=CC=C(C=C8)C9=CC=CC1=C9OC2=CC=CC=C12

DOS

IR

Vibrations