Geometry & MOs

Info

ID:	76717
PubChem CID:	48425280
Reduced:	F3N3O4C15H26 (1)
Stoich.:	A3B3C4D15E26 (1)
Weight, g/mol:	360.133063
ΔH_f, kcal/mol:	-350.09
Dipole, Da:	1.38
IP(EA), eV:	-8.92(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfonyl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)N(C)CC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations