Geometry & MOs

Info

ID:

385025

PubChem CID:

134978167

Reduced:

O2C15H23 (2)

Stoich.:

A2B15C23 (2)

Weight, g/mol:

470.33961

ΔHf, kcal/mol:

-216.45

Dipole, Da:

0.84

IP(EA), eV:

 -10.0(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2R,5R)-5-methyl-2-propylcyclohexyl] (1R,2R,3Z,4S)-3-[2-[(1R,2R,5R)-5-methyl-2-propylcyclohexyl]oxy-2-oxoethylidene]bicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCC[C@@H]1CC[C@H](C[C@H]1OC(=O)/C=C\2/[C@@H]3C[C@H]([C@H]2C(=O)O[C@@H]4C[C@@H](CC[C@H]4CCC)C)C=C3)C

DOS

IR

Vibrations