Geometry & MOs

Info

ID:

324

PubChem CID:

2587

Reduced:

O9C32H40 (1)

Stoich.:

A9B32C40 (1)

Weight, g/mol:

568.267233

ΔHf, kcal/mol:

-363.45

Dipole, Da:

2.64

IP(EA), eV:

 -9.01(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1,3-diacetyloxy-7,8-dimethyl-7-(3-methylpenta-2,4-dienyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 4-hydroxy-3-methoxybenzoate

Drug info:

PubChemData

Smile

CC1CCC23C(C1(C)CC=C(C)C=C)CC(C=C2C(OC3OC(=O)C)OC(=O)C)OC(=O)C4=CC(=C(C=C4)O)OC

DOS

IR

Vibrations