Geometry & MOs

Info

ID:

324974

PubChem CID:

126679006

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

243.36

Dipole, Da:

3.27

IP(EA), eV:

 -8.25(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-8-yl-18-(3-phenylphenyl)-11-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C=C5C6=CC=CC=C6OC5=C4)C7=C3C8=C(C=C7)C9=CC=CC=C9N8C1=NC2=CC=CC=C2C(=N1)C1=CC=CC=C1

DOS

IR

Vibrations