Geometry & MOs

Info

ID:

324660

PubChem CID:

126678080

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

316.98

Dipole, Da:

6.43

IP(EA), eV:

 -8.21(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-8-yl-24-(4-phenylphenyl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)C9=C(N8C1=CC=CC=C1)C1=C(C=C9)OC2=CC=CC=C21

DOS

IR

Vibrations