Geometry & MOs

Info

ID:

409760

PubChem CID:

135082545

Reduced:

NOSeH4C6 (1)

Stoich.:

ABCD4E6 (1)

Weight, g/mol:

241.037508

ΔHf, kcal/mol:

31.86

Dipole, Da:

1.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.103797

Charge, e:

 0

Chem-info

IUPAC name:

4-isoquinolin-2-ium-2-yl-2,5-dioxofuran-3-olate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=[Se]O2

DOS

IR

Vibrations