Geometry & MOs

Info

ID:	76477
PubChem CID:	48424973
Reduced:	SN2F3O4C14H25 (1)
Stoich.:	AB2C3D4E14F25 (1)
Weight, g/mol:	407.239576
ΔH_f, kcal/mol:	-351.28
Dipole, Da:	3.72
IP(EA), eV:	-9.12(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)CC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations