Geometry & MOs

Info

ID:	339256
PubChem CID:	127260635
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-150.18
Dipole, Da:	4.57
IP(EA), eV:	-9.99(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,6R)-2-oxo-6-phenylcyclohexyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations