Geometry & MOs

Info

ID:	399705
PubChem CID:	135041927
Reduced:	O3C7H11 (2)
Stoich.:	A3B7C11 (2)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-282.66
Dipole, Da:	2.19
IP(EA), eV:	-10.24(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E,4E,8R)-10-hydroxy-8-methyldeca-2,4-dienoate

Drug info:

PubChemData

Smile

CCC(C)O[C@@H]1C=C[C@@H](C(O1)COC(=O)C)OC(=O)C

DOS

IR

Vibrations