Geometry & MOs

Info

ID:	287635
PubChem CID:	104249592
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-65.8
Dipole, Da:	1.8
IP(EA), eV:	-9.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpyridin-3-yl)-2-(oxan-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CCOC(C1)CC(=O)CC2=NC=CS2

DOS

IR

Vibrations