Geometry & MOs

Info

ID:	85581
PubChem CID:	49877229
Reduced:	ClON2H24C25 (1)
Stoich.:	ABC2D24E25 (1)
Weight, g/mol:	393.135679
ΔH_f, kcal/mol:	88.98
Dipole, Da:	5.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

4-[(E)-3-(2,3,5,6-tetrafluoro-4-piperidin-1-ylphenyl)prop-2-enyl]morpholine;chloride

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2/C=C/C4=CC=CC=C4.[Cl-]

DOS

IR

Vibrations