Geometry & MOs

Info

ID:	38129
PubChem CID:	8027275
Reduced:	NO5C16H20 (1)
Stoich.:	AB5C16D20 (1)
Weight, g/mol:	276.087198
ΔH_f, kcal/mol:	-145.24
Dipole, Da:	4.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.812847
Charge, e:	-1

Chem-info

IUPAC name:

(2S,3R)-2-(1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCN1[C@@H]([C@H](CCC1=O)C(=O)[O-])C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations