Geometry & MOs

Info

ID:

15165

PubChem CID:

431624

Reduced:

ON2C14H19 (1)

Stoich.:

AB2C14D19 (1)

Weight, g/mol:

231.149738

ΔHf, kcal/mol:

17.76

Dipole, Da:

1.48

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.857945

Charge, e:

 1

Chem-info

IUPAC name:

3-(4-ethoxyphenyl)-1,2,5-trimethylpyrazol-2-ium

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=[N+](N(C(=C2)C)C)C

DOS

IR

Vibrations