Geometry & MOs

Info

ID:

310425

PubChem CID:

126580147

Reduced:

ON2H34C54 (1)

Stoich.:

AB2C34D54 (1)

Weight, g/mol:

624.220164

ΔHf, kcal/mol:

316.21

Dipole, Da:

3.83

IP(EA), eV:

 -8.4(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N4C5=CC=CC=C5C6=C4C7=C(C=C6)C8=CC=CC=C8N7C9=CC=C(C=C9)C1=CC=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations