Geometry & MOs

Info

ID:

315083

PubChem CID:

126624386

Reduced:

F2O2C21H28 (1)

Stoich.:

A2B2C21D28 (1)

Weight, g/mol:

612.366219

ΔHf, kcal/mol:

-212.91

Dipole, Da:

3.96

IP(EA), eV:

 -8.89(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-(7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl) 3-O-[3-methyl-7-[3-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]-3-oxopropanoyl]oxy-1-bicyclo[3.3.1]nonanyl] propanedioate

Drug info:

PubChemData

Smile

CCCCC(C1=CC(=C2[C@@H]3C=C(CCC3C(OC2=C1)(C)C)C)O)(F)F

DOS

IR

Vibrations