Geometry & MOs

Info

ID:	294358
PubChem CID:	117454395
Reduced:	ClO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	282.102272
ΔH_f, kcal/mol:	-143.14
Dipole, Da:	3.76
IP(EA), eV:	-9.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1O)C)C2(CCCCC2)C(=O)O)Cl

DOS

IR

Vibrations