Geometry & MOs

Info

ID:	76515
PubChem CID:	48425028
Reduced:	F3N3O4C17H24 (1)
Stoich.:	A3B3C4D17E24 (1)
Weight, g/mol:	351.176976
ΔH_f, kcal/mol:	-307.49
Dipole, Da:	3.05
IP(EA), eV:	-8.88(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCCOCC(F)(F)F)NC(=O)C2=COC=C2

DOS

IR

Vibrations