Geometry & MOs

Info

ID:

324552

PubChem CID:

126677886

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

218.56

Dipole, Da:

3.58

IP(EA), eV:

 -8.03(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-8-yl-18-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=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=C(N6C8=C9C=CC=C1C9=C(C=C8)C2=CC=CC=C21)C=CC1=C7C2=CC=CC=C2O1

DOS

IR

Vibrations