Geometry & MOs

Info

ID:	76572
PubChem CID:	48425105
Reduced:	F3N3O3C19H30 (1)
Stoich.:	A3B3C3D19E30 (1)
Weight, g/mol:	417.190912
ΔH_f, kcal/mol:	-266.67
Dipole, Da:	3.56
IP(EA), eV:	-8.84(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-1-oxo-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]pentan-2-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC=C(O1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations