Geometry & MOs

Info

ID:	292455
PubChem CID:	115001450
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-135.47
Dipole, Da:	1.65
IP(EA), eV:	-8.86(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-methylphenoxy)butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)OC1=CC=CC(=C1)C

DOS

IR

Vibrations