Geometry & MOs

Info

ID:	76570
PubChem CID:	48425102
Reduced:	F3N3O3C14H24 (1)
Stoich.:	A3B3C3D14E24 (1)
Weight, g/mol:	322.186813
ΔH_f, kcal/mol:	-292.93
Dipole, Da:	9.85
IP(EA), eV:	-8.62(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methyl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]pent-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations