Geometry & MOs

Info

ID:

324503

PubChem CID:

126677775

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

261.98

Dipole, Da:

3.53

IP(EA), eV:

 -7.98(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

26-fluoranthen-2-yl-15-naphthalen-1-yl-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-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)N(C9=C8C1=C(C=C9)C2=CC=CC=C2O1)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations