Geometry & MOs

Info

ID:	317541
PubChem CID:	126643196
Reduced:	FOCl2N2C11H13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	242.062219
ΔH_f, kcal/mol:	-118.09
Dipole, Da:	7.26
IP(EA), eV:	-9.4(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-(3-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1C(=O)NC2=CC(=CC=C2)Cl)F.Cl

DOS

IR

Vibrations