Geometry & MOs

Info

ID:

324744

PubChem CID:

126678261

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

213.17

Dipole, Da:

3.11

IP(EA), eV:

 -7.96(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-fluoranthen-2-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=C2C(=C1)C=CC=C2N3C4=C(C=CC5=C4C6=CC=CC=C6N5C7=C8C=CC=C9C8=C(C=C7)C1=CC=CC=C19)C1=C3C2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations