Geometry & MOs

Info

ID:

324708

PubChem CID:

126678177

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

258.37

Dipole, Da:

4.59

IP(EA), eV:

 -7.94(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-fluoranthen-3-yl-15-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=C5C8=C(C=C7)C9=CC=CC=C9N8C1=CC=CC(=C1)C1=CC=CC=C1)C1=C(C=C6)OC2=CC=CC=C21

DOS

IR

Vibrations