Geometry & MOs

Info

ID:

411310

PubChem CID:

135084123

Reduced:

ClN2O2H10C11 (1)

Stoich.:

AB2C2D10E11 (1)

Weight, g/mol:

237.172879

ΔHf, kcal/mol:

9.65

Dipole, Da:

4.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.783675

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (NZ)-N-(2,2-dimethylnon-4-yn-3-ylidene)carbamate

Drug info:

PubChemData

Smile

CO/C(=C(/C=C/C1=CC=CC=C1Cl)\[N+]#N)/O

DOS

IR

Vibrations