Geometry & MOs

Info

ID:	355044
PubChem CID:	127287905
Reduced:	BrN2O4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-145.12
Dipole, Da:	4.0
IP(EA), eV:	-9.09(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1-tert-butylpiperidin-4-yl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1Br)OCCO2)NC(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations