Geometry & MOs

Info

ID:	76727
PubChem CID:	48425292
Reduced:	NOF3C9H11 (2)
Stoich.:	ABC3D9E11 (2)
Weight, g/mol:	414.162255
ΔH_f, kcal/mol:	-389.58
Dipole, Da:	6.38
IP(EA), eV:	-9.15(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations