Geometry & MOs

Info

ID:	402486
PubChem CID:	135056169
Reduced:	C8H9 (2)
Stoich.:	A8B9 (2)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	16.74
Dipole, Da:	1.25
IP(EA), eV:	-8.56(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclohexyl]propanoate

Drug info:

PubChemData

Smile

CCCC[C@@H]1CC2=CC=CC3=C2C1=CC=C3

DOS

IR

Vibrations