Geometry & MOs

Info

ID:	197164
PubChem CID:	78931072
Reduced:	F3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-277.15
Dipole, Da:	4.93
IP(EA), eV:	-9.33(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1OCCCOCC(F)(F)F)O

DOS

IR

Vibrations