Geometry & MOs

Info

ID:	76706
PubChem CID:	48425269
Reduced:	N2F3O3C18H25 (1)
Stoich.:	A2B3C3D18E25 (1)
Weight, g/mol:	404.192292
ΔH_f, kcal/mol:	-269.43
Dipole, Da:	2.75
IP(EA), eV:	-9.0(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenoxy)-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=C2

DOS

IR

Vibrations