Geometry & MOs

Info

ID:	339257
PubChem CID:	127260636
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-117.17
Dipole, Da:	3.09
IP(EA), eV:	-9.53(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5S)-5-methyl-2-oxocyclohexyl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@H](CCCC1=O)C2=CC=CC=C2

DOS

IR

Vibrations