Geometry & MOs

Info

ID:	339259
PubChem CID:	127260638
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-151.32
Dipole, Da:	3.7
IP(EA), eV:	-9.95(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations