Geometry & MOs

Info

ID:

386679

PubChem CID:

134982518

Reduced:

NO2C23H35 (4)

Stoich.:

AB2C23D35 (4)

Weight, g/mol:

308.162374

ΔHf, kcal/mol:

-256.87

Dipole, Da:

6.89

IP(EA), eV:

 -7.6(-2.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(methoxymethyl)-17-methyl-3,6,9,14-tetraoxatricyclo[9.7.0.012,16]octadeca-1(18),11,16-triene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC1C2=CC(=C(C(=C2OC)C#N)OC)C(C3=CC(=C(C(=C3OC)C#N)OC)C(C4=C(C(=C(C(=C4)C(C5=C(C(=C(C1=C5)OC)C#N)OC)CCCCCCCCCCCCC)OC)C#N)OC)CCCCCCCCCCCCC)CCCCCCCCCCCCC

DOS

IR

Vibrations