Geometry & MOs

Info

ID:

324597

PubChem CID:

126677963

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

800.282764

ΔHf, kcal/mol:

423.73

Dipole, Da:

2.96

IP(EA), eV:

 -8.04(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-(4-phenylphenyl)-15-(3-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=CC=CC=C6C7=C5C8=C(C=C7)N(C9=C8C=CC1=C9C2=CC=CC=C2O1)C1=CC=C(C=C1)C1=CC=CC=C1

DOS

IR

Vibrations