Geometry & MOs

Info

ID:

400606

PubChem CID:

135048486

Reduced:

BC21H33 (1)

Stoich.:

AB21C33 (1)

Weight, g/mol:

320.198759

ΔHf, kcal/mol:

-26.28

Dipole, Da:

0.25

IP(EA), eV:

 -9.43(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'aS,2'aS,3'S,6'aR,7'aS)-3',6'a-dimethyl-1'a-(3-methylbut-2-enyl)spiro[1,3-dioxolane-2,4'-2a,3,5,6,7,7a-hexahydronaphtho[2,3-b]oxirene]-2'-one

Drug info:

PubChemData

Smile

B([C@@H]1C[C@H]2CC[C@@H]1C2)([C@@H]3C[C@H]4CC[C@@H]3C4)[C@@H]5C[C@@H]6CCC5C6

DOS

IR

Vibrations