Geometry & MOs

Info

ID:	76428
PubChem CID:	48424910
Reduced:	SO2F3N3C17H26 (1)
Stoich.:	AB2C3D3E17F26 (1)
Weight, g/mol:	356.192292
ΔH_f, kcal/mol:	-242.09
Dipole, Da:	4.15
IP(EA), eV:	-8.84(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC(=C(S1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F)C

DOS

IR

Vibrations