Geometry & MOs

Info

ID:	314837
PubChem CID:	126623599
Reduced:	NO5H13C16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	310.074068
ΔH_f, kcal/mol:	-110.27
Dipole, Da:	4.99
IP(EA), eV:	-9.52(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C#CC(=O)OC)CC(=O)O

DOS

IR

Vibrations