Geometry & MOs

Info

ID:	76528
PubChem CID:	48425045
Reduced:	O2F3N4C18H29 (1)
Stoich.:	A2B3C4D18E29 (1)
Weight, g/mol:	340.143234
ΔH_f, kcal/mol:	-239.9
Dipole, Da:	4.36
IP(EA), eV:	-8.51(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-prop-2-enylsulfanyl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C(C)(C)C)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations