Geometry & MOs

Info

ID:

391756

PubChem CID:

135009254

Reduced:

O4C19H27 (1)

Stoich.:

A4B19C27 (1)

Weight, g/mol:

304.167459

ΔHf, kcal/mol:

-130.14

Dipole, Da:

4.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.004381

Charge, e:

 0

Chem-info

IUPAC name:

[(1'R,3R)-5-methoxy-4',4',6-trimethylspiro[2H-1-benzofuran-3,3'-cyclopentane]-1'-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)[C@@]23C[O+]([C@@H]2CCC3(C)C)C(=O)C)OC

DOS

IR

Vibrations