Geometry & MOs

Info

ID:

324534

PubChem CID:

126677849

Reduced:

ON2H22C36 (1)

Stoich.:

AB2C22D36 (1)

Weight, g/mol:

498.173213

ΔHf, kcal/mol:

140.71

Dipole, Da:

4.31

IP(EA), eV:

 -8.07(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,15-diphenyl-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)N(C6=C5C=CC7=C6C8=CC=CC=C8O7)C9=CC=CC=C9

DOS

IR

Vibrations