Geometry & MOs

Info

ID:	152337
PubChem CID:	56311252
Reduced:	ON2C14H19 (2)
Stoich.:	AB2C14D19 (2)
Weight, g/mol:	436.227454
ΔH_f, kcal/mol:	-61.15
Dipole, Da:	5.82
IP(EA), eV:	-8.91(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations