Geometry & MOs

Info

ID:

324568

PubChem CID:

126677909

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

230.22

Dipole, Da:

0.97

IP(EA), eV:

 -8.15(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-fluoranthen-3-yl-15-(3-phenylphenyl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=C3C6=C(C=C5)C7=CC=CC=C7N6C8=CC9=C(C=C8)C1=CC=CC2=C1C9=CC=C2)C1=C(C=C4)C2=CC=CC=C2O1

DOS

IR

Vibrations