Geometry & MOs

Info

ID:	50735
PubChem CID:	12013319
Reduced:	O3C11H20 (1)
Stoich.:	A3B11C20 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-158.58
Dipole, Da:	2.26
IP(EA), eV:	-10.22(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,5S)-5-hydroxy-4-methylhex-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations