Geometry & MOs

Info

ID:	337962
PubChem CID:	127258585
Reduced:	NBr2O3C9H13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	263.01571
ΔH_f, kcal/mol:	-133.28
Dipole, Da:	4.7
IP(EA), eV:	-10.06(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanoyl (2S)-4-bromopyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)OC(=O)[C@@H]1C(C(CN1)Br)Br

DOS

IR

Vibrations