Geometry & MOs

Info

ID:	294361
PubChem CID:	117454433
Reduced:	ClO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	282.102272
ΔH_f, kcal/mol:	-128.3
Dipole, Da:	5.11
IP(EA), eV:	-8.89(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=C(C=C1)OC2CCC2)Cl)C(=O)O

DOS

IR

Vibrations