Geometry & MOs

Info

ID:	294292
PubChem CID:	117451041
Reduced:	BrO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	281.089937
ΔH_f, kcal/mol:	-32.15
Dipole, Da:	4.32
IP(EA), eV:	-9.82(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-carboxy-2-hydroxy-3-methoxyphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C2=C(C=C(C=C2)C3(CC3)C(=O)O)Br

DOS

IR

Vibrations