Geometry & MOs

Info

ID:	419825
PubChem CID:	135109195
Reduced:	ON2C22H28 (1)
Stoich.:	AB2C22D28 (1)
Weight, g/mol:	378.1591
ΔH_f, kcal/mol:	-3.94
Dipole, Da:	4.54
IP(EA), eV:	-8.63(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-3-methoxyphenyl)-3-(3-propoxypiperidin-1-yl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)CC3=CC=C(C=C3)C4=CN=CC=C4

DOS

IR

Vibrations