Geometry & MOs

Info

ID:	23961
PubChem CID:	607217
Reduced:	O5C14H22 (1)
Stoich.:	A5B14C22 (1)
Weight, g/mol:	270.146724
ΔH_f, kcal/mol:	-258.68
Dipole, Da:	2.81
IP(EA), eV:	-10.14(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-oxocyclohexyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1CC(CC(=O)C1)CC(=O)OCC

DOS

IR

Vibrations