Geometry & MOs

Info

ID:

387521

PubChem CID:

134985679

Reduced:

N2O3H7C8 (1)

Stoich.:

A2B3C7D8 (1)

Weight, g/mol:

260.159642

ΔHf, kcal/mol:

-53.41

Dipole, Da:

5.32

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.106138

Charge, e:

 0

Chem-info

IUPAC name:

6-(2-methoxyphenyl)hex-1-ynyl-trimethylsilane

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)[N+]#N)O)C(=O)O

DOS

IR

Vibrations