Geometry & MOs

Info

ID:	318629
PubChem CID:	126652401
Reduced:	FN2O6H21C25 (1)
Stoich.:	AB2C6D21E25 (1)
Weight, g/mol:	239.071306
ΔH_f, kcal/mol:	-208.2
Dipole, Da:	6.32
IP(EA), eV:	-9.4(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CO[C@H]2[C@@H]1OCC2OC3=C(C(=O)N(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C#N

DOS

IR

Vibrations