Geometry & MOs

Info

ID:	292456
PubChem CID:	115001451
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-132.5
Dipole, Da:	2.08
IP(EA), eV:	-8.71(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-methylphenoxy)butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)OC1=CC=CC=C1C

DOS

IR

Vibrations