Geometry & MOs

Info

ID:

397412

PubChem CID:

135030184

Reduced:

ClO3N4C26H37 (1)

Stoich.:

AB3C4D26E37 (1)

Weight, g/mol:

334.250795

ΔHf, kcal/mol:

-109.19

Dipole, Da:

2.08

IP(EA), eV:

 -9.26(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(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-en-1-ol

Drug info:

PubChemData

Smile

C/C(=C\C[C@]1([C@@H]2CCCC3([C@]2(CCC1=C)C)OCCO3)C)/CCN(C=O)C4=C(N=CN=C4Cl)N

DOS

IR

Vibrations