Geometry & MOs

Info

ID:	293461
PubChem CID:	117390039
Reduced:	ClO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	254.070972
ΔH_f, kcal/mol:	-136.0
Dipole, Da:	4.25
IP(EA), eV:	-9.43(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC(=C(C=C2)O)Cl)C(=O)O

DOS

IR

Vibrations