Geometry & MOs

Info

ID:

325048

PubChem CID:

126679390

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

252.42

Dipole, Da:

5.45

IP(EA), eV:

 -7.97(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-fluoranthen-2-yl-15-(3-phenylphenyl)-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C=CC5=C4C6=CC=CC=C6N5C7=CC=C(C=C7)C8=NC9=CC=CC=C9C(=N8)C1=CC=CC=C1)C1=C3C2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations