Geometry & MOs

Info

ID:

85352

PubChem CID:

49874175

Reduced:

NO4C22H35 (1)

Stoich.:

AB4C22D35 (1)

Weight, g/mol:

292.167459

ΔHf, kcal/mol:

-201.09

Dipole, Da:

3.3

IP(EA), eV:

 -8.45(1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,7S,9S,11R,12S)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate

Drug info:

PubChemData

Smile

CCN1C[C@]2(CC[C@H]([C@]34[C@H]2C[C@H](C31)[C@@]5(C[C@@H]([C@@H]6C[C@H]4[C@H]5[C@@H]6O)OC)O)O)C

DOS

IR

Vibrations