Geometry & MOs

Info

ID:	76731
PubChem CID:	48425298
Reduced:	N2O2F4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	411.176976
ΔH_f, kcal/mol:	-259.56
Dipole, Da:	3.33
IP(EA), eV:	-8.96(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylidene-2-[2-oxo-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethyl]isoindol-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2CC2C3=CC=C(C=C3)F

DOS

IR

Vibrations