Geometry & MOs

Info

ID:

324658

PubChem CID:

126678078

Reduced:

ON4H28C46 (1)

Stoich.:

AB4C28D46 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

213.45

Dipole, Da:

1.84

IP(EA), eV:

 -8.06(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-fluoranthen-8-yl-15-(4-phenylphenyl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=C(N6C8=CC=CC=C8)C=CC9=C7OC1=CC=CC=C91)C1=CC=CC=C1

DOS

IR

Vibrations