Geometry & MOs

Info

ID:	268817
PubChem CID:	103601079
Reduced:	ClOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-24.62
Dipole, Da:	1.55
IP(EA), eV:	-8.78(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-butan-2-ylphenoxy)propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC/C=C/Cl)C

DOS

IR

Vibrations