Geometry & MOs

Info

ID:

222686

PubChem CID:

85320040

Reduced:

SiO6C38H64 (1)

Stoich.:

AB6C38D64 (1)

Weight, g/mol:

715.387288

ΔHf, kcal/mol:

-370.95

Dipole, Da:

4.47

IP(EA), eV:

 -8.86(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,9,9-trimethyl-10-(2-nitrobutyl)-8-(phenylmethoxymethyl)-2-(trityloxymethyl)-12-oxatricyclo[6.3.1.01,6]dodecan-11-one

Drug info:

PubChemData

Smile

CCCCCC(CC=C(C)C1C(C(OC(O1)(C)C)C(C)C=C(C)C(CC(=O)OC2=CC=CC=C2)O)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations