Geometry & MOs

Info

ID:	294748
PubChem CID:	117487946
Reduced:	BrO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	303.094057
ΔH_f, kcal/mol:	-162.34
Dipole, Da:	5.7
IP(EA), eV:	-9.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-2,3-dimethoxy-4-methylsulfonylphenyl)pyrrolidine

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=C(C(=CC(=C1)OC)Br)O

DOS

IR

Vibrations