Geometry & MOs

Info

ID:	76426
PubChem CID:	48424908
Reduced:	N2F3O4C15H27 (1)
Stoich.:	A2B3C4D15E27 (1)
Weight, g/mol:	407.185433
ΔH_f, kcal/mol:	-342.35
Dipole, Da:	3.59
IP(EA), eV:	-9.07(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-butyl-4-methyl-1,3-thiazol-5-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COCCOCCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations