Geometry & MOs

Info

ID:

324733

PubChem CID:

126678237

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

255.91

Dipole, Da:

4.46

IP(EA), eV:

 -7.79(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-8-yl-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=C5C=CC8=C7C9=CC=CC=C9N8C1=CC=C(C=C1)C1=CC=CC=C1)C1=C(C=C6)C2=CC=CC=C2O1

DOS

IR

Vibrations