Geometry & MOs

Info

ID:	76444
PubChem CID:	48424933
Reduced:	F3O3N4C19H25 (1)
Stoich.:	A3B3C4D19E25 (1)
Weight, g/mol:	416.228677
ΔH_f, kcal/mol:	-207.79
Dipole, Da:	4.0
IP(EA), eV:	-9.39(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CCCC1=NOC2=C1C=C(C=N2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations