Geometry & MOs

Info

ID:	76475
PubChem CID:	48424971
Reduced:	F3N3O3C19H32 (1)
Stoich.:	A3B3C3D19E32 (1)
Weight, g/mol:	348.17731
ΔH_f, kcal/mol:	-320.83
Dipole, Da:	5.24
IP(EA), eV:	-8.95(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations