Geometry & MOs

Info

ID:	128348
PubChem CID:	51040769
Reduced:	F3O3N5C24H24 (1)
Stoich.:	A3B3C5D24E24 (1)
Weight, g/mol:	431.141197
ΔH_f, kcal/mol:	-178.05
Dipole, Da:	6.54
IP(EA), eV:	-8.69(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CCC(C1=CN(N=N1)CC2=CC3=CC(=C(N3C=C2)C4=CN=C(C=C4)C)C(=O)OCC)(C(F)(F)F)O

DOS

IR

Vibrations