Geometry & MOs

Info

ID:

324531

PubChem CID:

126677845

Reduced:

ON2H22C36 (1)

Stoich.:

AB2C22D36 (1)

Weight, g/mol:

498.173213

ΔHf, kcal/mol:

143.04

Dipole, Da:

2.72

IP(EA), eV:

 -7.75(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15,18-diphenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=C2C=CC5=C4C6=CC=CC=C6N5C7=CC=CC=C7)C8=C(C=C3)C9=CC=CC=C9O8

DOS

IR

Vibrations