Geometry & MOs

Info

ID:

174464

PubChem CID:

75765996

Reduced:

FOCl2N3C20H25 (1)

Stoich.:

ABC2D3E20F25 (1)

Weight, g/mol:

429.114146

ΔHf, kcal/mol:

-25.84

Dipole, Da:

1.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752650

Charge, e:

 2

Chem-info

IUPAC name:

[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl-(3-imidazolidin-1-ium-1-ylpropyl)azanium

Drug info:

PubChemData

Smile

C1C[NH+](CN1)CCCNCC2=C(C=CC(=C2)Cl)OCC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations