Geometry & MOs

Info

ID:	138121
PubChem CID:	52316411
Reduced:	O5C11H14 (1)
Stoich.:	A5B11C14 (1)
Weight, g/mol:	226.084124
ΔH_f, kcal/mol:	-187.9
Dipole, Da:	6.21
IP(EA), eV:	-9.87(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3R)-3-hydroxybut-1-en-2-yl]-5-(hydroxymethyl)-4-methoxypyran-2-one

Drug info:

PubChemData

Smile

C[C@@H](C(=C)C1=C(C(=CC(=O)O1)OC)CO)O

DOS

IR

Vibrations