Geometry & MOs

Info

ID:	76729
PubChem CID:	48425294
Reduced:	F3N3O3C16H28 (1)
Stoich.:	A3B3C3D16E28 (1)
Weight, g/mol:	412.117683
ΔH_f, kcal/mol:	-317.98
Dipole, Da:	1.99
IP(EA), eV:	-9.09(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenoxy)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations