Geometry & MOs

Info

ID:

324753

PubChem CID:

126678270

Reduced:

ON4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

232.47

Dipole, Da:

4.53

IP(EA), eV:

 -8.0(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-2-yl-24-naphthalen-1-yl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C42)C5=C(C=C3)C6=C(N5C7=NC8=CC=CC=C8C(=N7)C9=CC1=CC=CC=C1C=C9)C=CC1=C6C2=CC=CC=C2O1

DOS

IR

Vibrations