Geometry & MOs

Info

ID:	76637
PubChem CID:	48425178
Reduced:	O2F3N4C15H23 (1)
Stoich.:	A2B3C4D15E23 (1)
Weight, g/mol:	348.17731
ΔH_f, kcal/mol:	-218.39
Dipole, Da:	3.34
IP(EA), eV:	-8.58(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations