Geometry & MOs

Info

ID:

432615

PubChem CID:

135172751

Reduced:

NO4C13H21 (1)

Stoich.:

AB4C13D21 (1)

Weight, g/mol:

211.157229

ΔHf, kcal/mol:

-173.25

Dipole, Da:

5.33

IP(EA), eV:

-10.18(0.25)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3R,4R)-4-[(6S)-5-azaspiro[2.4]heptan-6-yl]-4-methoxy-3-methylbutan-2-one

Drug info:

PubChemData

Smile

C[C@H]([C@H]([C@@H]1CC2(CC2)CN1C(=O)O)OC)C(=O)C

DOS

IR

Vibrations