Geometry & MOs

Info

ID:	76554
PubChem CID:	48425075
Reduced:	O2F3N5C14H22 (1)
Stoich.:	A2B3C5D14E22 (1)
Weight, g/mol:	392.172305
ΔH_f, kcal/mol:	-201.02
Dipole, Da:	2.04
IP(EA), eV:	-9.13(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(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)N2C=NC=N2

DOS

IR

Vibrations