Geometry & MOs

Info

ID:

324718

PubChem CID:

126678205

Reduced:

ON4H38C52 (1)

Stoich.:

AB4C38D52 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

205.13

Dipole, Da:

2.54

IP(EA), eV:

 -8.0(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-fluoranthen-2-yl-15-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1C=CC=CC1C2C=C(NC(N2)C3=CC(=CC=C3)N4C5=C(C=C6C7=CC=CC=C7N(C6=C5)C8=CC=CC=C8)C9=C4C=C1C(=C9)C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations