Geometry & MOs

Info

ID:	392031
PubChem CID:	135012062
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	416.219889
ΔH_f, kcal/mol:	-43.4
Dipole, Da:	0.51
IP(EA), eV:	-9.34(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,5S)-2,3-dimethoxy-2,3-dimethyl-5,6-bis(phenylmethoxymethyl)-1,4-dioxane

Drug info:

PubChemData

Smile

CCC1=N[C@]2(CCC(C2(C)C)C)C(=C)O1

DOS

IR

Vibrations