Geometry & MOs

Info

ID:	382286
PubChem CID:	134973344
Reduced:	NO13C21H31 (1)
Stoich.:	AB13C21D31 (1)
Weight, g/mol:	130.062994
ΔH_f, kcal/mol:	-598.1
Dipole, Da:	6.24
IP(EA), eV:	-9.98(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-2-methyl-1,3-dioxane-4-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H](C[C@](OC1[C@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC)OC(=O)C

DOS

IR

Vibrations