Geometry & MOs

Info

ID:	38126
PubChem CID:	8027210
Reduced:	NO6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	322.129062
ΔH_f, kcal/mol:	-170.8
Dipole, Da:	3.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.781357
Charge, e:	-1

Chem-info

IUPAC name:

(2R,3S)-1-ethyl-5-oxo-2-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCN1[C@@H]([C@@H](CC1=O)C(=O)[O-])C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations