Geometry & MOs

Info

ID:	24887
PubChem CID:	614243
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-165.13
Dipole, Da:	3.87
IP(EA), eV:	-10.14(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC2CCCCC2CC1=O

DOS

IR

Vibrations