Geometry & MOs

Info

ID:	76460
PubChem CID:	48424953
Reduced:	SN2F3O4C13H23 (1)
Stoich.:	AB2C3D4E13F23 (1)
Weight, g/mol:	396.153988
ΔH_f, kcal/mol:	-346.9
Dipole, Da:	4.48
IP(EA), eV:	-8.94(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations