Geometry & MOs

Info

ID:

324724

PubChem CID:

126678219

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

231.9

Dipole, Da:

4.11

IP(EA), eV:

 -7.84(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

26-fluoranthen-2-yl-15-(4-phenylphenyl)-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=C3C=CC6=C5C7=CC=CC=C7N6C8=NC9=CC=CC=C9C(=N8)C1=CC=CC=C1)C1=C(C=C4)C2=CC=CC=C2O1

DOS

IR

Vibrations