Geometry & MOs

Info

ID:	294260
PubChem CID:	117445885
Reduced:	O5C15H18 (1)
Stoich.:	A5B15C18 (1)
Weight, g/mol:	278.115424
ΔH_f, kcal/mol:	-156.25
Dipole, Da:	6.81
IP(EA), eV:	-9.16(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(oxan-3-yloxy)phenyl]-2-oxoacetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC2COC2)C3(CCC3)C(=O)O

DOS

IR

Vibrations