Geometry & MOs

Info

ID:	76442
PubChem CID:	48424931
Reduced:	N2O2F3C17H27 (1)
Stoich.:	A2B2C3D17E27 (1)
Weight, g/mol:	374.148713
ΔH_f, kcal/mol:	-261.72
Dipole, Da:	6.44
IP(EA), eV:	-8.88(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propylsulfonyl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(=CC(=O)N2CCN(CC2)CCCOCC(F)(F)F)CC1

DOS

IR

Vibrations