Geometry & MOs

Info

ID:	386077
PubChem CID:	134980710
Reduced:	F2O3C21H34 (1)
Stoich.:	A2B3C21D34 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-258.41
Dipole, Da:	6.34
IP(EA), eV:	-9.35(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5R,6R)-5-methyl-6-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCC[C@@H](/C=C/C=C/C=C\C(CCCC(=O)OC)(F)F)O

DOS

IR

Vibrations