Geometry & MOs

Info

ID:

393793

PubChem CID:

135021705

Reduced:

O13C44H82 (1)

Stoich.:

A13B44C82 (1)

Weight, g/mol:

252.172545

ΔHf, kcal/mol:

-727.07

Dipole, Da:

6.37

IP(EA), eV:

 -10.24(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one

Drug info:

PubChemData

Smile

CC(C)CCCCCCCCCCCCCC(=O)OCC1[C@H](C(C([C@H](O1)O[C@@H]2C(C([C@@H](C(O2)COC(=O)CCCCCCCCCCCC(C)C)O)O)O)O)O)O

DOS

IR

Vibrations