Geometry & MOs

Info

ID:	54973
PubChem CID:	17389607
Reduced:	NO6C16H21 (1)
Stoich.:	AB6C16D21 (1)
Weight, g/mol:	307.022305
ΔH_f, kcal/mol:	-239.71
Dipole, Da:	2.77
IP(EA), eV:	-9.34(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@H]1CCNC1C2=CC=CC=C2.C(=O)(C(=O)O)O

DOS

IR

Vibrations