Geometry & MOs

Info

ID:	293892
PubChem CID:	117410131
Reduced:	O4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-139.95
Dipole, Da:	3.33
IP(EA), eV:	-8.84(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethoxy-3,4-dimethylphenyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(CCO2)C(=C1OC)C3(CC3)CC(=O)O

DOS

IR

Vibrations