Geometry & MOs

Info

ID:	31023
PubChem CID:	854151
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-155.87
Dipole, Da:	3.45
IP(EA), eV:	-9.98(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,4S)-4-methyl-2-oxocyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H]1CCCCC1=O

DOS

IR

Vibrations