Geometry & MOs

Info

ID:	294363
PubChem CID:	117454508
Reduced:	ClO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	282.102272
ΔH_f, kcal/mol:	-158.49
Dipole, Da:	5.62
IP(EA), eV:	-8.98(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2CCCCC2=C(C(=C1CC(C)C(=O)O)O)Cl

DOS

IR

Vibrations