Geometry & MOs

Info

ID:	76424
PubChem CID:	48424906
Reduced:	SF3N3O4C12H22 (1)
Stoich.:	AB3C3D4E12F22 (1)
Weight, g/mol:	376.208611
ΔH_f, kcal/mol:	-330.92
Dipole, Da:	6.78
IP(EA), eV:	-9.05(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations