Geometry & MOs

Info

ID:

436870

PubChem CID:

135212431

Reduced:

N3H31C52 (1)

Stoich.:

A3B31C52 (1)

Weight, g/mol:

549.184112

ΔHf, kcal/mol:

269.1

Dipole, Da:

4.78

IP(EA), eV:

 -8.1(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-(4-dibenzofuran-1-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(C35C6=CC=CC=C6C7=CC=CC=C57)C=C(C=C4)N8C9=CC=CC=C9C1=C8N2C3=CC=CC=C3C3=CC=CC=C3C2=N1

DOS

IR

Vibrations