Geometry & MOs

Info

ID:	220304
PubChem CID:	85177277
Reduced:	O5C12H20 (1)
Stoich.:	A5B12C20 (1)
Weight, g/mol:	244.131074
ΔH_f, kcal/mol:	-228.39
Dipole, Da:	3.32
IP(EA), eV:	-10.14(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl]oxolan-2-one

Drug info:

PubChemData

Smile

CC(=O)CC1(C(CC1OCOC)C(=O)OC)C

DOS

IR

Vibrations