Geometry & MOs

Info

ID:

232169

PubChem CID:

87575638

Reduced:

NH6O6C10 (1)

Stoich.:

AB6C6D10 (1)

Weight, g/mol:

209.95839

ΔHf, kcal/mol:

-61.89

Dipole, Da:

6.09

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.787455

Charge, e:

 0

Chem-info

IUPAC name:

1-benzoselenophene-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])OC(=O)/C=C/C(=O)[O-]

DOS

IR

Vibrations