Geometry & MOs

Info

ID:

324776

PubChem CID:

126678328

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

240.94

Dipole, Da:

3.93

IP(EA), eV:

 -7.99(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-fluoranthen-2-yl-15-(4-phenylphenyl)-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C7=C(N6C8=NC9=CC=CC=C9C(=N8)C1=CC=CC=C1)C1=C(C=C7)OC2=CC=CC=C21

DOS

IR

Vibrations