Geometry & MOs

Info

ID:	448408
PubChem CID:	135290700
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	79.32
Dipole, Da:	1.72
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-ethynylpyridin-2-yl)-1,5-dimethyl-7-(oxetan-3-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

C#CC1=CN=C(N=C1)N2CCN(CC2)C3COC3

DOS

IR

Vibrations