Geometry & MOs

Info

ID:	340849
PubChem CID:	127263284
Reduced:	ClN2O3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	233.043041
ΔH_f, kcal/mol:	-130.51
Dipole, Da:	2.93
IP(EA), eV:	-8.68(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,4R)-4-(trifluoromethyl)pyrrolidine-3-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

C[C@](CC1=CC=C(C=C1)O)(N2CCCC2)N(C)C(=O)OCC3=CC=CC=C3.Cl

DOS

IR

Vibrations