Geometry & MOs

Info

ID:	76509
PubChem CID:	48425018
Reduced:	O2F3N4C19H23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	396.144296
ΔH_f, kcal/mol:	-174.54
Dipole, Da:	1.47
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CC=CC=C2N3C=CC=N3

DOS

IR

Vibrations