Geometry & MOs

Info

ID:	76491
PubChem CID:	48424996
Reduced:	F3N3O3C19H34 (1)
Stoich.:	A3B3C3D19E34 (1)
Weight, g/mol:	414.213027
ΔH_f, kcal/mol:	-334.74
Dipole, Da:	3.96
IP(EA), eV:	-8.79(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-6-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]hexane-1,6-dione

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(C(C)C)C(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations