Geometry & MOs

Info

ID:	76671
PubChem CID:	48425221
Reduced:	N2F3O4C20H29 (1)
Stoich.:	A2B3C4D20E29 (1)
Weight, g/mol:	404.192292
ΔH_f, kcal/mol:	-311.46
Dipole, Da:	2.95
IP(EA), eV:	-8.5(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations