Geometry & MOs

Info

ID:	76634
PubChem CID:	48425173
Reduced:	F3O3N4C16H27 (1)
Stoich.:	A3B3C4D16E27 (1)
Weight, g/mol:	379.208276
ΔH_f, kcal/mol:	-304.17
Dipole, Da:	4.05
IP(EA), eV:	-8.91(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCN(CC2)CCCOCC(F)(F)F)C(=O)N

DOS

IR

Vibrations