Geometry & MOs

Info

ID:	386111
PubChem CID:	134980809
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-88.09
Dipole, Da:	2.55
IP(EA), eV:	-8.8(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,6S)-6-methyl-2-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CCC=CC1N2CCCC2

DOS

IR

Vibrations