Geometry & MOs

Info

ID:

230228

PubChem CID:

87570469

Reduced:

O12C35H40 (2)

Stoich.:

A12B35C40 (2)

Weight, g/mol:

377.220223

ΔHf, kcal/mol:

-485.22

Dipole, Da:

4.27

IP(EA), eV:

 -8.51(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-methyl-5-[4-[1-(4-methylphenyl)propylideneamino]oxybutyl]-1,3-dioxane-2-carboxylate

Drug info:

PubChemData

Smile

C1C(O1)COC2=CC(=C(C(=C2)OCC3CO3)OCC4CO4)C56CC7(CC(C5)(CC(C6)(C7)C8=C(C(=CC(=C8)OCC9CO9)OCC1CO1)OCC1CO1)C1=C(C(=CC(=C1)OCC1CO1)OCC1CO1)OCC1CO1)C1=C(C(=CC(=C1)OCC1CO1)OCC1CO1)OCC1CO1

DOS

IR

Vibrations