Geometry & MOs

Info

ID:	339254
PubChem CID:	127260633
Reduced:	O3C11H18 (1)
Stoich.:	A3B11C18 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-163.25
Dipole, Da:	4.87
IP(EA), eV:	-9.98(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-2-methyl-6-oxocyclohexyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations