Geometry & MOs

Info

ID:	387737
PubChem CID:	134986646
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	144.11503
ΔH_f, kcal/mol:	-119.63
Dipole, Da:	3.06
IP(EA), eV:	-10.55(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6S)-2-ethyl-4,6-dimethyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCC(=O)C(CC1)C#N

DOS

IR

Vibrations