Geometry & MOs

Info

ID:

214626

PubChem CID:

85083300

Reduced:

OC4H6 (8)

Stoich.:

AB4C6 (8)

Weight, g/mol:

560.371304

ΔHf, kcal/mol:

-405.88

Dipole, Da:

4.29

IP(EA), eV:

 -10.3(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[2-[6-[4-methyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(oxan-2-yloxy)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]prop-2-enoxy]acetate

Drug info:

PubChemData

Smile

CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)C=C)C)OC(=O)C)OC(=O)C)C

DOS

IR

Vibrations