Geometry & MOs

Info

ID:

324972

PubChem CID:

126678999

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

256.61

Dipole, Da:

3.77

IP(EA), eV:

 -7.91(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-fluoranthen-2-yl-15-(3-phenylphenyl)-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(=CC=C2)N3C4=C(C=CC5=C4N(C6=CC=CC=C56)C7=CC=C(C=C7)C8=NC9=CC=CC=C9C(=N8)C1=CC=CC=C1)C1=C3C2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations