Geometry & MOs

Info

ID:	76588
PubChem CID:	48425121
Reduced:	F3N3O3C17H30 (1)
Stoich.:	A3B3C3D17E30 (1)
Weight, g/mol:	400.197377
ΔH_f, kcal/mol:	-326.43
Dipole, Da:	3.43
IP(EA), eV:	-8.62(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-4-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations