Geometry & MOs

Info

ID:	76555
PubChem CID:	48425076
Reduced:	N2O3F4C18H24 (1)
Stoich.:	A2B3C4D18E24 (1)
Weight, g/mol:	392.172305
ΔH_f, kcal/mol:	-314.21
Dipole, Da:	5.12
IP(EA), eV:	-8.97(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenoxy)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCCOCC(F)(F)F)OC2=CC(=CC=C2)F

DOS

IR

Vibrations