Geometry & MOs

Info

ID:	76474
PubChem CID:	48424970
Reduced:	F3N3O3C19H32 (1)
Stoich.:	A3B3C3D19E32 (1)
Weight, g/mol:	407.239576
ΔH_f, kcal/mol:	-321.86
Dipole, Da:	6.13
IP(EA), eV:	-8.96(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C)N1CC(CC1=O)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations