Geometry & MOs

Info

ID:

324734

PubChem CID:

126678239

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

216.59

Dipole, Da:

3.31

IP(EA), eV:

 -8.04(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-2-yl-10-(4-phenylphenyl)-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=C(N6C8=CC9=C(C=C8)C1=CC=CC2=C1C9=CC=C2)C=C1C(=C7)C2=CC=CC=C2O1

DOS

IR

Vibrations