Geometry & MOs

Info

ID:	122609
PubChem CID:	50814385
Reduced:	FO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	-96.24
Dipole, Da:	4.31
IP(EA), eV:	-8.98(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=CC=C2)N3CCCN(C3=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations