Geometry & MOs

Info

ID:	339260
PubChem CID:	127260639
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-162.13
Dipole, Da:	4.31
IP(EA), eV:	-9.92(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R)-3-butyl-2-oxocyclohexyl] acetate

Drug info:

PubChemData

Smile

CCCC[C@H]1CCC[C@H](C1=O)OC(=O)C

DOS

IR

Vibrations