Geometry & MOs

Info

ID:

397257

PubChem CID:

135029963

Reduced:

SiO4C24H48 (1)

Stoich.:

AB4C24D48 (1)

Weight, g/mol:

467.28964

ΔHf, kcal/mol:

-308.25

Dipole, Da:

3.45

IP(EA), eV:

-8.72(0.52)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[7-[(E)-5-[(1'R,4'aR,8'aR)-1',4'a-dimethyl-2'-methylidenespiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydronaphthalene]-1'-yl]-3-methylpent-3-enyl]purin-6-yl]hydroxylamine

Drug info:

PubChemData

Smile

CCCCCCCCCCC[C@@]1(CC[C@H](O1)CO[Si](C)(C)C(C)(C)C)C(=O)OC

DOS

IR

Vibrations