Geometry & MOs

Info

ID:

324533

PubChem CID:

126677848

Reduced:

ON4H30C46 (1)

Stoich.:

AB4C30D46 (1)

Weight, g/mol:

498.173213

ΔHf, kcal/mol:

206.97

Dipole, Da:

1.86

IP(EA), eV:

 -8.18(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,15-diphenyl-24-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(NC(=N2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=C(N6C8=CC=CC=C8)C=CC9=C7C1=CC=CC=C1O9)C1=CC=CC=C1

DOS

IR

Vibrations