Geometry & MOs

Info

ID:	393492
PubChem CID:	135020757
Reduced:	NO3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	280.094688
ΔH_f, kcal/mol:	-179.37
Dipole, Da:	3.72
IP(EA), eV:	-9.52(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,5R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde

Drug info:

PubChemData

Smile

CCCCCN1C[C@H]([C@@H](C1=O)C(=O)OCC)CCC

DOS

IR

Vibrations