Geometry & MOs

Info

ID:	339258
PubChem CID:	127260637
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-150.31
Dipole, Da:	3.55
IP(EA), eV:	-9.91(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4R)-4-methyl-2-oxocyclohexyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations