Geometry & MOs

Info

ID:	76524
PubChem CID:	48425038
Reduced:	N2O2F6C17H26 (1)
Stoich.:	A2B2C6D17E26 (1)
Weight, g/mol:	419.200746
ΔH_f, kcal/mol:	-438.99
Dipole, Da:	5.88
IP(EA), eV:	-8.86(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CC(C1)C(F)(F)F)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations