Geometry & MOs

Info

ID:	54989
PubChem CID:	17389628
Reduced:	FNO6C16H20 (1)
Stoich.:	ABC6D16E20 (1)
Weight, g/mol:	251.132157
ΔH_f, kcal/mol:	-293.37
Dipole, Da:	3.26
IP(EA), eV:	-9.53(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (3S)-2-(4-fluorophenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations