Geometry & MOs

Info

ID:

324975

PubChem CID:

126679007

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

217.96

Dipole, Da:

1.73

IP(EA), eV:

 -8.02(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-fluoranthen-8-yl-15-(3-phenylphenyl)-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C7=C(N6C8=CC9=C(C=C8)C1=CC=CC2=C1C9=CC=C2)C=C1C(=C7)C2=CC=CC=C2O1

DOS

IR

Vibrations