Geometry & MOs

Info

ID:	339118
PubChem CID:	127260497
Reduced:	FO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	226.100523
ΔH_f, kcal/mol:	-190.48
Dipole, Da:	3.34
IP(EA), eV:	-10.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-fluoro-4-hydroxy-2-methylbutyl] benzoate

Drug info:

PubChemData

Smile

CCCC(C(C[C@@H](C)OC(=O)C1=CC=CC=C1)F)O

DOS

IR

Vibrations