Geometry & MOs

Info

ID:	408615
PubChem CID:	135081382
Reduced:	O6C9H16 (1)
Stoich.:	A6B9C16 (1)
Weight, g/mol:	234.110338
ΔH_f, kcal/mol:	-261.48
Dipole, Da:	2.44
IP(EA), eV:	-9.57(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-but-2-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C/C=C/OC1C(C(C(C(O1)CO)O)O)O

DOS

IR

Vibrations