Geometry & MOs

Info

ID:

324547

PubChem CID:

126677878

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

257.72

Dipole, Da:

3.26

IP(EA), eV:

 -7.92(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-fluoranthen-2-yl-15-naphthalen-1-yl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=CC=CC=C6C7=C5C8=C(C=C7)C9=C(N8C1=CC=CC2=CC=CC=C21)C1=C(C=C9)C2=CC=CC=C2O1

DOS

IR

Vibrations