Geometry & MOs

Info

ID:	293658
PubChem CID:	117395256
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-139.33
Dipole, Da:	5.32
IP(EA), eV:	-9.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-ethyl-3-methoxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

CCC(CC)C1=C(C=C(C=C1)C(C(=O)O)O)Cl

DOS

IR

Vibrations