Geometry & MOs

Info

ID:	136505
PubChem CID:	52051760
Reduced:	FO4N5C27H38 (1)
Stoich.:	AB4C5D27E38 (1)
Weight, g/mol:	480.217284
ΔH_f, kcal/mol:	-181.79
Dipole, Da:	7.17
IP(EA), eV:	-8.29(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-N-butyl-N-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NO1)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)N4CCC(CC4)NC(=O)OC(C)(C)C)F

DOS

IR

Vibrations