Geometry & MOs

Info

ID:	449808
PubChem CID:	135301698
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	41.76
Dipole, Da:	4.1
IP(EA), eV:	-8.36(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-ethynyl-4-methylpyridin-2-yl)-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

COCCCN1CCN(CC1)C2=NC=C(C=C2)C#C

DOS

IR

Vibrations