Geometry & MOs

Info

ID:	448545
PubChem CID:	135291753
Reduced:	FN2O2C14H25 (1)
Stoich.:	AB2C2D14E25 (1)
Weight, g/mol:	258.137971
ΔH_f, kcal/mol:	-163.73
Dipole, Da:	3.03
IP(EA), eV:	-8.83(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(3R)-4-ethoxy-3-fluoropiperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)O[C@H]1CCN(C[C@H]1F)C(=O)[C@H]2CCCCN2

DOS

IR

Vibrations