Geometry & MOs

Info

ID:

391165

PubChem CID:

135003268

Reduced:

O2C12H13 (1)

Stoich.:

A2B12C13 (1)

Weight, g/mol:

207.100777

ΔHf, kcal/mol:

-24.44

Dipole, Da:

1.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.988548

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)propanenitrile

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)/C=C/C1=C[CH]C=C1

DOS

IR

Vibrations