Geometry & MOs

Info

ID:	50734
PubChem CID:	12013318
Reduced:	O3C11H20 (1)
Stoich.:	A3B11C20 (1)
Weight, g/mol:	200.141244
ΔH_f, kcal/mol:	-155.16
Dipole, Da:	3.23
IP(EA), eV:	-10.15(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,2R,5S)-5-hydroxy-2-methyloct-3-enoate

Drug info:

PubChemData

Smile

CCC[C@@H](/C=C/[C@H](C)C(=O)OCC)O

DOS

IR

Vibrations