Geometry & MOs

Info

ID:	287355
PubChem CID:	104238855
Reduced:	ClO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	314.128487
ΔH_f, kcal/mol:	-86.57
Dipole, Da:	2.37
IP(EA), eV:	-8.84(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]hexanoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)OCC2CC3CCC2C3)Cl)O

DOS

IR

Vibrations