Geometry & MOs

Info

ID:

324553

PubChem CID:

126677887

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

212.82

Dipole, Da:

1.94

IP(EA), eV:

 -8.01(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-fluoranthen-8-yl-15-naphthalen-1-yl-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=C2C(=C1)C=CC=C2N3C4=CC=CC=C4C5=C3C6=C(C=C5)C7=C(N6C8=CC9=C(C=C8)C1=CC=CC2=C1C9=CC=C2)C=C1C(=C7)C2=CC=CC=C2O1

DOS

IR

Vibrations