Geometry & MOs

Info

ID:	320197
PubChem CID:	126658667
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	419.194402
ΔH_f, kcal/mol:	-42.3
Dipole, Da:	3.33
IP(EA), eV:	-8.65(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-[(1R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate

Drug info:

PubChemData

Smile

C/C=C\C=C/C=C(\C)/CCO[C@@H]1CCCC[C@H]1N

DOS

IR

Vibrations