Geometry & MOs

Info

ID:

324559

PubChem CID:

126677894

Reduced:

ON4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

222.92

Dipole, Da:

4.84

IP(EA), eV:

 -7.92(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-fluoranthen-8-yl-15-(3-phenylphenyl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)N(C8=C7C=C9C1=CC=CC=C1OC9=C8)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations