Geometry & MOs

Info

ID:	206715
PubChem CID:	80288621
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-139.03
Dipole, Da:	1.81
IP(EA), eV:	-8.74(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-ethoxyphenyl)butanoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(C(C)C)C(=O)OCC

DOS

IR

Vibrations