Geometry & MOs

Info

ID:	337365
PubChem CID:	127257050
Reduced:	Cl2O2F3H5C9 (1)
Stoich.:	A2B2C3D5E9 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-226.72
Dipole, Da:	3.07
IP(EA), eV:	-9.82(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-phenylpropyl] 2-[(3R)-pyrrolidin-3-yl]acetate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1COC(=O)C(F)(F)F)Cl)Cl

DOS

IR

Vibrations