Geometry & MOs

Info

ID:	85601
PubChem CID:	49877540
Reduced:	ClN2O2C19H26 (1)
Stoich.:	AB2C2D19E26 (1)
Weight, g/mol:	354.088394
ΔH_f, kcal/mol:	-0.57
Dipole, Da:	3.43
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-(4-ethoxy-2,3,5,6-tetrafluorophenyl)prop-2-enyl]morpholine;chloride

Drug info:

PubChemData

Smile

CN(C)CCNCCOC1=CC=C(C=C1)OCC2=CC=CC=C2.[Cl-]

DOS

IR

Vibrations