Geometry & MOs

Info

ID:	76542
PubChem CID:	48425061
Reduced:	FNOC6H10 (3)
Stoich.:	ABCD6E10 (3)
Weight, g/mol:	391.154133
ΔH_f, kcal/mol:	-320.21
Dipole, Da:	4.74
IP(EA), eV:	-8.72(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyridin-3-ylmethylsulfanyl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NCCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations