Geometry & MOs

Info

ID:	142195
PubChem CID:	52998857
Reduced:	N4O4C23H26 (1)
Stoich.:	A4B4C23D26 (1)
Weight, g/mol:	410.175419
ΔH_f, kcal/mol:	-49.15
Dipole, Da:	4.8
IP(EA), eV:	-8.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)OC

DOS

IR

Vibrations