Geometry & MOs

Info

ID:	136513
PubChem CID:	52054117
Reduced:	F2O3N5H21C22 (1)
Stoich.:	A2B3C5D21E22 (1)
Weight, g/mol:	518.232934
ΔH_f, kcal/mol:	-106.14
Dipole, Da:	3.72
IP(EA), eV:	-8.43(-1.15)
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-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC(=O)N)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)F)F

DOS

IR

Vibrations