Geometry & MOs

Info

ID:	369270
PubChem CID:	127332024
Reduced:	FON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	387.207053
ΔH_f, kcal/mol:	-5.47
Dipole, Da:	8.55
IP(EA), eV:	-8.66(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-5-methylphenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)N2CCCC(C2=O)N3CCN(CC3)C4=NC=C(C=C4)C#N

DOS

IR

Vibrations