Geometry & MOs

Info

ID:	432514
PubChem CID:	135172647
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	284.125988
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	4.85
IP(EA), eV:	-9.19(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[ethoxy(hydroxy)methyl]-5,7-dioxospiro[2.5]octane-8-carboxylate

Drug info:

PubChemData

Smile

COCC1=CCN(C1)C(=O)C=C

DOS

IR

Vibrations