Geometry & MOs

Info

ID:	120823
PubChem CID:	50746080
Reduced:	O3N4H20C23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	472.191069
ΔH_f, kcal/mol:	24.1
Dipole, Da:	1.7
IP(EA), eV:	-9.42(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)C3=CC=CC=C3OCC(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations