Geometry & MOs

Info

ID:

57128

PubChem CID:

22395370

Reduced:

O3C12H20 (1)

Stoich.:

A3B12C20 (1)

Weight, g/mol:

227.115758

ΔHf, kcal/mol:

-169.8

Dipole, Da:

4.48

IP(EA), eV:

-9.99(0.6)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

ethyl 4-oxo-4-(4-oxopiperidin-1-yl)butanoate

Drug info:

PubChemData

Smile

CC(C)(C)COC(=O)C1CCC(=O)CC1

DOS

IR

Vibrations