Geometry & MOs

Info

ID:	54174
PubChem CID:	14742762
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	308.162374
ΔH_f, kcal/mol:	-109.65
Dipole, Da:	4.13
IP(EA), eV:	-8.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-methoxyphenoxy)-3-oxooctanoate

Drug info:

PubChemData

Smile

CCCCC1=C(C=CC2=C1C=CC=C2OC)C(=O)O

DOS

IR

Vibrations