Geometry & MOs

Info

ID:	385572
PubChem CID:	134979441
Reduced:	OC4H5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	338.136553
ΔH_f, kcal/mol:	-27.83
Dipole, Da:	1.86
IP(EA), eV:	-9.35(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybicyclo[4.4.1]undeca-2,4,8-trien-11-one

Drug info:

PubChemData

Smile

C(/C=C/C=C/C#CCO)O

DOS

IR

Vibrations