Geometry & MOs

Info

ID:	221137
PubChem CID:	85256976
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	284.27153
ΔH_f, kcal/mol:	-2.23
Dipole, Da:	4.52
IP(EA), eV:	-8.59(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-ethyl-6-hexyl-5,5-dimethyl-1,3-dioxane

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2CC(=O)NNC2C3=CC=CC=C3

DOS

IR

Vibrations