Geometry & MOs

Info

ID:	446267
PubChem CID:	135273667
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	331.01816
ΔH_f, kcal/mol:	-19.86
Dipole, Da:	3.98
IP(EA), eV:	-8.79(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-iodo-2-methylpyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N2CC3CCC(C2)O3

DOS

IR

Vibrations