Geometry & MOs

Info

ID:

381952

PubChem CID:

134972824

Reduced:

BrNOC3H5 (1)

Stoich.:

ABCD3E5 (1)

Weight, g/mol:

228.154557

ΔHf, kcal/mol:

-16.07

Dipole, Da:

4.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756604

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane

Drug info:

PubChemData

Smile

CN(C(=O)[CH2+])Br

DOS

IR

Vibrations