Geometry & MOs

Info

ID:

324638

PubChem CID:

126678029

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

345.58

Dipole, Da:

3.09

IP(EA), eV:

 -8.09(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-fluoranthen-3-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=C(C=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)N(C7=C6C=CC8=C7C9=CC=CC=C9O8)C1=CC2=C(C=C1)C1=CC=CC3=C1C2=CC=C3

DOS

IR

Vibrations