Geometry & MOs

Info

ID:

324713

PubChem CID:

126678191

Reduced:

ON4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

622.204513

ΔHf, kcal/mol:

227.97

Dipole, Da:

3.24

IP(EA), eV:

 -7.97(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-2-yl-26-phenyl-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=C2C=CC5=C4OC6=CC=CC=C56)C7=C(C=C3)C8=CC=CC=C8N7C9=NC1=CC=CC=C1C(=N9)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations