Geometry & MOs

Info

ID:	323248
PubChem CID:	126673776
Reduced:	Br2N2O5C10H10 (1)
Stoich.:	A2B2C5D10E10 (1)
Weight, g/mol:	189.063722
ΔH_f, kcal/mol:	-109.75
Dipole, Da:	8.82
IP(EA), eV:	-9.66(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CNC(=O)O)OC1=CC(=CC(=C1Br)[N+](=O)[O-])Br

DOS

IR

Vibrations