Geometry & MOs

Info

ID:	273861
PubChem CID:	103805460
Reduced:	BrFON2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-66.06
Dipole, Da:	3.32
IP(EA), eV:	-9.25(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CNCCCNC(=O)C1=CC(=C(C=C1)F)Br

DOS

IR

Vibrations