Geometry & MOs

Info

ID:	293659
PubChem CID:	117395259
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-142.29
Dipole, Da:	4.83
IP(EA), eV:	-9.25(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-6-methoxy-3,5-dimethylphenyl)butanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1OC)Cl)CCCC(=O)O

DOS

IR

Vibrations