Geometry & MOs

Info

ID:

324537

PubChem CID:

126677853

Reduced:

ON4H28C46 (1)

Stoich.:

AB4C28D46 (1)

Weight, g/mol:

498.173213

ΔHf, kcal/mol:

212.66

Dipole, Da:

3.86

IP(EA), eV:

 -7.88(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15,18-diphenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)N(C7=C6C=C8C(=C7)C9=CC=CC=C9O8)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations