Geometry & MOs

Info

ID:	76649
PubChem CID:	48425192
Reduced:	O2F3N4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	379.171891
ΔH_f, kcal/mol:	-181.75
Dipole, Da:	4.85
IP(EA), eV:	-8.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-oxo-3-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CN(N=C2)CC3=CC=CC=C3

DOS

IR

Vibrations