Geometry & MOs

Info

ID:	207107
PubChem CID:	80347768
Reduced:	OSN5C11H15 (1)
Stoich.:	ABC5D11E15 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	41.79
Dipole, Da:	4.01
IP(EA), eV:	-8.75(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(2-methoxypyridin-3-yl)methyl]pyrrolidin-2-yl]propan-2-one

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC2=C(N=CC=C2)OC)CN

DOS

IR

Vibrations