Geometry & MOs

Info

ID:

12290

PubChem CID:

134206

Reduced:

OC4H5 (6)

Stoich.:

AB4C5 (6)

Weight, g/mol:

414.204239

ΔHf, kcal/mol:

-239.77

Dipole, Da:

3.59

IP(EA), eV:

 -9.16(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,2aS,4aS,7aS,7bR)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@H]4[C@@H]3CC(C4)(C)C)C=O)O)C)O)OC

DOS

IR

Vibrations