Geometry & MOs

Info

ID:	294513
PubChem CID:	117465726
Reduced:	SO6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	288.127406
ΔH_f, kcal/mol:	-239.75
Dipole, Da:	8.74
IP(EA), eV:	-9.78(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC(=C(C=C1)S(=O)(=O)C)OC)O

DOS

IR

Vibrations