Geometry & MOs

Info

ID:	446266
PubChem CID:	135273663
Reduced:	FO3N6C27H33 (1)
Stoich.:	AB3C6D27E33 (1)
Weight, g/mol:	219.137162
ΔH_f, kcal/mol:	-84.39
Dipole, Da:	2.38
IP(EA), eV:	-8.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dimethylpyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CCOC(=O)CN1CCC(C(C1)F)C2=CC3=C(C=C2C)C=NN3C4=CC(=NC(=N4)C)N5CC6CC5CO6

DOS

IR

Vibrations