Geometry & MOs

Info

ID:	303898
PubChem CID:	124490740
Reduced:	BrN2O2C13H21 (1)
Stoich.:	AB2C2D13E21 (1)
Weight, g/mol:	288.04734
ΔH_f, kcal/mol:	-100.42
Dipole, Da:	8.09
IP(EA), eV:	-9.12(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C(=O)[C@H]2CCCN2C(=O)CBr

DOS

IR

Vibrations