Geometry & MOs

Info

ID:	294264
PubChem CID:	117446324
Reduced:	O2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	278.188195
ΔH_f, kcal/mol:	-133.99
Dipole, Da:	2.17
IP(EA), eV:	-8.36(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC2(CC2)O)OC3CCCOC3

DOS

IR

Vibrations