Geometry & MOs

Info

ID:	13148
PubChem CID:	221998
Reduced:	NO4C12H23 (1)
Stoich.:	AB4C12D23 (1)
Weight, g/mol:	245.162708
ΔH_f, kcal/mol:	-137.79
Dipole, Da:	6.48
IP(EA), eV:	-10.45(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-hexyl-5-nitro-1,3-dioxane

Drug info:

PubChemData

Smile

CCCCCCC1OCC(CO1)(CC)[N+](=O)[O-]

DOS

IR

Vibrations