Geometry & MOs

Info

ID:

44240

PubChem CID:

10502129

Reduced:

N2O4C25H26 (1)

Stoich.:

A2B4C25D26 (1)

Weight, g/mol:

418.235539

ΔHf, kcal/mol:

-41.12

Dipole, Da:

3.09

IP(EA), eV:

 -8.79(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,3bS,4S,5aS,9aS,9bR,10S)-10-acetyloxy-3b,6,6,9a-tetramethyl-1-oxo-3,3a,4,5,5a,7,8,9,9b,10-decahydronaphtho[2,1-e][2]benzofuran-4-yl] acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC2CC3(CC(ON3O2)C4=CC=CC=C4)CC5=CN=CC=C5

DOS

IR

Vibrations