Geometry & MOs

Info

ID:

36985

PubChem CID:

8015783

Reduced:

NO4C21H33 (1)

Stoich.:

AB4C21D33 (1)

Weight, g/mol:

363.240959

ΔHf, kcal/mol:

-185.01

Dipole, Da:

1.8

IP(EA), eV:

 -9.15(0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,3aR,4aR,5R,8aR,9aR)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-8a-methylspiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one

Drug info:

PubChemData

Smile

C[C@]12CCC[C@]3([C@H]1C[C@H]4[C@@H](C2)OC(=O)[C@H]4CN5CCCC[C@H]5CO)CO3

DOS

IR

Vibrations