Geometry & MOs

Info

ID:	276119
PubChem CID:	103820720
Reduced:	BrN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-72.05
Dipole, Da:	3.64
IP(EA), eV:	-9.38(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1CO)C(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations