Geometry & MOs

Info

ID:

324743

PubChem CID:

126678259

Reduced:

ON4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

229.13

Dipole, Da:

2.42

IP(EA), eV:

 -8.08(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-fluoranthen-3-yl-15-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)C2=NC(=NC3=CC=CC=C32)N4C5=CC=CC=C5C6=C4C7=C(C=C6)N(C8=C7C=CC9=C8C1=CC=CC=C1O9)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations