Geometry & MOs

Info

ID:

15067

PubChem CID:

428548

Reduced:

NO2C16H16 (1)

Stoich.:

AB2C16D16 (1)

Weight, g/mol:

254.118104

ΔHf, kcal/mol:

-12.79

Dipole, Da:

1.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.398186

Charge, e:

 1

Chem-info

IUPAC name:

8,9-dimethoxy-3-methylbenzo[f]isoquinolin-3-ium

Drug info:

PubChemData

Smile

C[N+]1=CC2=C(C=C1)C3=CC(=C(C=C3C=C2)OC)OC

DOS

IR

Vibrations