Geometry & MOs

Info

ID:	337964
PubChem CID:	127258587
Reduced:	BrNO3C5H8 (1)
Stoich.:	ABC3D5E8 (1)
Weight, g/mol:	293.02627
ΔH_f, kcal/mol:	-80.95
Dipole, Da:	3.32
IP(EA), eV:	-10.43(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanoyl (2S)-4-bromo-3-hydroxy-1-methylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CO/N=C(/CCBr)\C(=O)O

DOS

IR

Vibrations