Geometry & MOs

Info

ID:	259793
PubChem CID:	103174587
Reduced:	SO2N4C9H14 (1)
Stoich.:	AB2C4D9E14 (1)
Weight, g/mol:	294.051968
ΔH_f, kcal/mol:	-13.26
Dipole, Da:	2.83
IP(EA), eV:	-8.65(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(2-ethyl-6-methylpyridin-3-yl)oxy-5-nitropyrimidine

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CS/C(=N/N)/N)OC

DOS

IR

Vibrations