Geometry & MOs

Info

ID:	294760
PubChem CID:	117488881
Reduced:	BrFNO3C11H11 (1)
Stoich.:	ABCD3E11F11 (1)
Weight, g/mol:	302.99063
ΔH_f, kcal/mol:	-120.1
Dipole, Da:	3.58
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromo-2-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CNCC(=O)C1=CC2=C(C(=C1F)Br)OCCO2

DOS

IR

Vibrations