Geometry & MOs

Info

ID:

397258

PubChem CID:

135029964

Reduced:

O3N5C26H37 (1)

Stoich.:

A3B5C26D37 (1)

Weight, g/mol:

336.23006

ΔHf, kcal/mol:

-43.84

Dipole, Da:

7.0

IP(EA), eV:

 -9.26(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'R,4'aR,8'aR)-1'-[(E)-5-hydroxy-3-methylpent-2-enyl]-1',4'a-dimethylspiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydronaphthalene]-2'-one

Drug info:

PubChemData

Smile

C/C(=C\C[C@@]1([C@H]2CCCC3([C@@]2(CCC1=C)C)OCCO3)C)/CCN4C=NC5=C4C(=NC=N5)NO

DOS

IR

Vibrations