Geometry & MOs

Info

ID:	54946
PubChem CID:	17389576
Reduced:	NCl2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	363.027643
ΔH_f, kcal/mol:	-86.69
Dipole, Da:	2.44
IP(EA), eV:	-9.54(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-2-(2,6-dichlorophenyl)pyrrolidine-3-carboxylate;oxalic acid

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CCNC1C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations