Geometry & MOs

Info

ID:	76547
PubChem CID:	48425068
Reduced:	F3O3N4C16H25 (1)
Stoich.:	A3B3C4D16E25 (1)
Weight, g/mol:	393.169783
ΔH_f, kcal/mol:	-245.48
Dipole, Da:	3.55
IP(EA), eV:	-9.24(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations