Geometry & MOs

Info

ID:	339255
PubChem CID:	127260634
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-149.93
Dipole, Da:	4.72
IP(EA), eV:	-10.02(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations