Geometry & MOs

Info

ID:	76448
PubChem CID:	48424937
Reduced:	O2F3N3C21H26 (1)
Stoich.:	A2B3C3D21E26 (1)
Weight, g/mol:	362.192961
ΔH_f, kcal/mol:	-188.47
Dipole, Da:	4.0
IP(EA), eV:	-8.57(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCN1C=C(C2=CC=CC=C21)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations