Geometry & MOs

Info

ID:	318239
PubChem CID:	126649976
Reduced:	SO6F8H16C25 (1)
Stoich.:	AB6C8D16E25 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-522.85
Dipole, Da:	7.78
IP(EA), eV:	-9.71(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(hydroxymethyl)phenoxy]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=C([C@@H]1C3=C(C=C(C=C3)C(F)(F)F)OC4COC4)C=CC(=C2)S(=O)(=O)OC5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations