Geometry & MOs

Info

ID:	45587
PubChem CID:	10515251
Reduced:	OSC16H16 (1)
Stoich.:	ABC16D16 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	7.61
Dipole, Da:	1.56
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S)-6-[(E)-3-chlorobut-2-enyl]-6-methyl-5-oxocyclohexen-1-yl] acetate

Drug info:

PubChemData

Smile

CSC(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations