Geometry & MOs

Info

ID:

411052

PubChem CID:

135083861

Reduced:

N2O2C13H17 (1)

Stoich.:

A2B2C13D17 (1)

Weight, g/mol:

232.128342

ΔHf, kcal/mol:

-40.76

Dipole, Da:

5.45

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.935381

Charge, e:

 0

Chem-info

IUPAC name:

(E)-1-[dimethyl(phenyl)silyl]hex-2-en-1-one

Drug info:

PubChemData

Smile

CC\1(CC(=O)N/[N+]1=C\C2=CC(=CC=C2)OC)C

DOS

IR

Vibrations