Geometry & MOs

Info

ID:	259745
PubChem CID:	103173444
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-99.96
Dipole, Da:	1.27
IP(EA), eV:	-9.44(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxypyridin-2-yl)-4-methylpentan-3-one

Drug info:

PubChemData

Smile

CCC(=O)CCC1=NC=CC(=C1OC)OC

DOS

IR

Vibrations