Geometry & MOs

Info

ID:

413308

PubChem CID:

135086256

Reduced:

NH12C15 (1)

Stoich.:

AB12C15 (1)

Weight, g/mol:

282.128275

ΔHf, kcal/mol:

68.32

Dipole, Da:

1.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.180863

Charge, e:

 1

Chem-info

IUPAC name:

1,3-diphenylisoquinolin-2-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=[NH+]C=CC3=CC=CC=C32

DOS

IR

Vibrations