Geometry & MOs

Info

ID:

24810

PubChem CID:

613808

Reduced:

O4C14H17 (2)

Stoich.:

A4B14C17 (2)

Weight, g/mol:

498.225368

ΔHf, kcal/mol:

-298.5

Dipole, Da:

3.42

IP(EA), eV:

 -8.84(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[8-[(6,8-dimethoxy-2-oxochromen-7-yl)oxymethyl]-4,4,8a-trimethyl-7-methylidene-3-oxo-1,2,4a,5,6,8-hexahydronaphthalen-1-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CC(=O)C(C2C1(C(C(=C)CC2)COC3=C(C=C4C=CC(=O)OC4=C3OC)OC)C)(C)C

DOS

IR

Vibrations