Geometry & MOs

Info

ID:	224613
PubChem CID:	85345322
Reduced:	NO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	286.214409
ΔH_f, kcal/mol:	-121.21
Dipole, Da:	4.28
IP(EA), eV:	-9.11(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(2,2-dimethyl-1,3-dioxan-5-yl)butan-2-yl]-2,2-dimethyl-1,3-dioxane

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3CC(=O)C=CC3(C1=O)C(=O)OC

DOS

IR

Vibrations