Geometry & MOs

Info

ID:	76647
PubChem CID:	48425190
Reduced:	F3O3N4C16H27 (1)
Stoich.:	A3B3C4D16E27 (1)
Weight, g/mol:	372.202463
ΔH_f, kcal/mol:	-308.81
Dipole, Da:	3.27
IP(EA), eV:	-8.81(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)N)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations