Geometry & MOs

Info

ID:	383882
PubChem CID:	134975911
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-93.42
Dipole, Da:	6.08
IP(EA), eV:	-9.7(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate

Drug info:

PubChemData

Smile

CC[C@@]1([C@@]2(CCCCN2C(=O)O1)C)C=C

DOS

IR

Vibrations