Geometry & MOs

Info

ID:	54945
PubChem CID:	17389575
Reduced:	NCl2O6C14H15 (1)
Stoich.:	AB2C6D14E15 (1)
Weight, g/mol:	273.032334
ΔH_f, kcal/mol:	-243.83
Dipole, Da:	4.38
IP(EA), eV:	-9.63(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations