Geometry & MOs

Info

ID:	294686
PubChem CID:	117481070
Reduced:	ClO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	298.097187
ΔH_f, kcal/mol:	-153.3
Dipole, Da:	4.55
IP(EA), eV:	-9.08(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-chloro-4-(oxan-4-yl)phenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=CC(=C(C(=C1)Cl)OC2CC2)OC

DOS

IR

Vibrations