Geometry & MOs

Info

ID:

127086

PubChem CID:

50990407

Reduced:

O8C29H44 (1)

Stoich.:

A8B29C44 (1)

Weight, g/mol:

222.089209

ΔHf, kcal/mol:

-372.52

Dipole, Da:

5.96

IP(EA), eV:

 -9.81(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4R,6R,9R,10R)-2,7-dihydroxytetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H](OC1=O)C)C[C@H]([C@@](C)(C2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O)O

DOS

IR

Vibrations