Geometry & MOs

Info

ID:	76695
PubChem CID:	48425256
Reduced:	N2O3F4C18H24 (1)
Stoich.:	A2B3C4D18E24 (1)
Weight, g/mol:	408.142755
ΔH_f, kcal/mol:	-315.07
Dipole, Da:	2.44
IP(EA), eV:	-9.03(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCOC2=CC=CC=C2F

DOS

IR

Vibrations