Geometry & MOs

Info

ID:

179244

PubChem CID:

76455539

Reduced:

SiO4C30H45 (1)

Stoich.:

AB4C30D45 (1)

Weight, g/mol:

494.212952

ΔHf, kcal/mol:

-196.03

Dipole, Da:

7.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755471

Charge, e:

 1

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 3-(chloromethyl)-4-methyl-7-oxo-6-(1-triethylsilyloxyethyl)-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(CC(C(C(=O)OO[Si](C1=CC=CC=C1)C2=CC=CC=C2)C(C)(C)C)C(C)(C)C)CO

DOS

IR

Vibrations