Geometry & MOs

Info

ID:

324551

PubChem CID:

126677884

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

219.41

Dipole, Da:

3.49

IP(EA), eV:

 -8.1(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-3-yl-24-(3-phenylphenyl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=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=CC1=C7C2=CC=CC=C2O1

DOS

IR

Vibrations