Geometry & MOs

Info

ID:	128349
PubChem CID:	51040883
Reduced:	ClFN3O3C22H23 (1)
Stoich.:	ABC3D3E22F23 (1)
Weight, g/mol:	447.111647
ΔH_f, kcal/mol:	-93.17
Dipole, Da:	6.61
IP(EA), eV:	-9.21(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC1C(=O)NC2=CC(=CC=C2)OCC3=NOC(=C3)C4=CC=C(C=C4)F.Cl

DOS

IR

Vibrations