Geometry & MOs

Info

ID:

4283

PubChem CID:

11110

Reduced:

NO2C12H16 (1)

Stoich.:

AB2C12D16 (1)

Weight, g/mol:

206.118104

ΔHf, kcal/mol:

-46.42

Dipole, Da:

3.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.201882

Charge, e:

 1

Chem-info

IUPAC name:

6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium

Drug info:

PubChemData

Smile

C[N+]1=CC2=CC(=C(C=C2CC1)OC)OC

DOS

IR

Vibrations