Geometry & MOs

Info

ID:	294448
PubChem CID:	117461758
Reduced:	FSO4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-205.71
Dipole, Da:	5.8
IP(EA), eV:	-10.33(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=CC(=C1)C2(CCCC2)C(=O)O)F

DOS

IR

Vibrations