Geometry & MOs

Info

ID:

407670

PubChem CID:

135080421

Reduced:

N2O2C12H13 (1)

Stoich.:

A2B2C12D13 (1)

Weight, g/mol:

201.139174

ΔHf, kcal/mol:

-17.96

Dipole, Da:

3.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.075881

Charge, e:

 1

Chem-info

IUPAC name:

4-ethyl-3,5-dimethyl-2-phenyl-1H-pyrazol-2-ium

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=CC=[NH+]N2

DOS

IR

Vibrations