Geometry & MOs

Info

ID:	281355
PubChem CID:	103913750
Reduced:	FN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	28.27
Dipole, Da:	4.64
IP(EA), eV:	-9.32(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[(1S)-1-phenylethyl]amino]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NCC2=C(C(=CC=C2)C#N)F

DOS

IR

Vibrations