Geometry & MOs

Info

ID:	76502
PubChem CID:	48425008
Reduced:	F3O3N4C17H27 (1)
Stoich.:	A3B3C4D17E27 (1)
Weight, g/mol:	406.219175
ΔH_f, kcal/mol:	-250.74
Dipole, Da:	6.15
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CCCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations