Geometry & MOs

Info

ID:

436871

PubChem CID:

135212436

Reduced:

ON3H23C39 (1)

Stoich.:

AB3C23D39 (1)

Weight, g/mol:

677.221561

ΔHf, kcal/mol:

182.53

Dipole, Da:

3.29

IP(EA), eV:

 -8.21(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-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=C2C(=C1)C3=CC=CC=C3N4C2=NC5=C4N(C6=CC=CC=C65)C7=CC=C(C=C7)C8=C9C1=CC=CC=C1OC9=CC=C8

DOS

IR

Vibrations