Geometry & MOs

Info

ID:

406972

PubChem CID:

135079035

Reduced:

ClN2O2H6C9 (1)

Stoich.:

AB2C2D6E9 (1)

Weight, g/mol:

238.175292

ΔHf, kcal/mol:

13.41

Dipole, Da:

1.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.779893

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-(1-cyclopent-3-en-1-ylprop-2-enoxy)-dimethylsilane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations