Geometry & MOs

Info

ID:	125478
PubChem CID:	50925840
Reduced:	ClFO2N3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	419.148121
ΔH_f, kcal/mol:	-51.6
Dipole, Da:	6.87
IP(EA), eV:	-9.1(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations