Geometry & MOs

Info

ID:

324688

PubChem CID:

126678136

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

622.204513

ΔHf, kcal/mol:

232.92

Dipole, Da:

3.68

IP(EA), eV:

 -7.94(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

26-fluoranthen-2-yl-15-phenyl-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=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)N5C6=C(C7=C5C=CC8=C7OC9=CC=CC=C89)C1=C(C=C6)C2=CC=CC=C2N1C1=CC=CC=C1

DOS

IR

Vibrations