Geometry & MOs

Info

ID:	402771
PubChem CID:	135057194
Reduced:	FO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	214.156895
ΔH_f, kcal/mol:	-136.94
Dipole, Da:	3.67
IP(EA), eV:	-9.96(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-hydroxy-4-methylnon-4-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C[C@@H]2[C@H](O2)CCC(=O)O

DOS

IR

Vibrations