Geometry & MOs

Info

ID:	76546
PubChem CID:	48425067
Reduced:	N2F3O4C20H29 (1)
Stoich.:	A2B3C4D20E29 (1)
Weight, g/mol:	378.187875
ΔH_f, kcal/mol:	-312.62
Dipole, Da:	7.46
IP(EA), eV:	-8.72(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCCOCC(F)(F)F)OCC2=CC(=CC=C2)OC

DOS

IR

Vibrations