Geometry & MOs

Info

ID:	380050
PubChem CID:	134964543
Reduced:	O3C13H24 (1)
Stoich.:	A3B13C24 (1)
Weight, g/mol:	228.172545
ΔH_f, kcal/mol:	-165.9
Dipole, Da:	0.73
IP(EA), eV:	-10.09(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6S)-5-hydroxy-2,2,6-trimethyloct-7-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)CCC([C@H](C)C=C)O

DOS

IR

Vibrations