Geometry & MOs

Info

ID:	54944
PubChem CID:	17389574
Reduced:	BrClN2O2C10H10 (1)
Stoich.:	ABC2D2E10F10 (1)
Weight, g/mol:	363.027643
ΔH_f, kcal/mol:	-70.14
Dipole, Da:	4.29
IP(EA), eV:	-8.4(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-2-(2,4-dichlorophenyl)pyrrolidine-3-carboxylate;oxalic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C=C(C=CC2=N1)Cl.Br

DOS

IR

Vibrations