Geometry & MOs

Info

ID:	295049
PubChem CID:	117512736
Reduced:	BrClO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	333.0012
ΔH_f, kcal/mol:	-119.12
Dipole, Da:	5.99
IP(EA), eV:	-9.54(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)Br)C2(CCCC2)C(=O)O

DOS

IR

Vibrations