Geometry & MOs

Info

ID:

380373

PubChem CID:

134970801

Reduced:

WN2O2C6H11 (1)

Stoich.:

AB2C2D6E11 (1)

Weight, g/mol:

268.167459

ΔHf, kcal/mol:

146.36

Dipole, Da:

3.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.075629

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,6S,6aR)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one

Drug info:

PubChemData

Smile

CN(C(=O)CNC=[CH-])OC.[W]

DOS

IR

Vibrations