Geometry & MOs

Info

ID:

194067

PubChem CID:

78477057

Reduced:

ClOSN3C13H17 (1)

Stoich.:

ABCD3E13F17 (1)

Weight, g/mol:

294.230728

ΔHf, kcal/mol:

28.53

Dipole, Da:

6.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756395

Charge, e:

 2

Chem-info

IUPAC name:

1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine-1,4-diium

Drug info:

PubChemData

Smile

C1CSCC[NH+]1CC(=O)NN=CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations