Geometry & MOs

Info

ID:	196779
PubChem CID:	78877281
Reduced:	FO3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	376.191069
ΔH_f, kcal/mol:	-90.7
Dipole, Da:	2.73
IP(EA), eV:	-9.19(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C(C)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)F

DOS

IR

Vibrations