Geometry & MOs

Info

ID:	289124
PubChem CID:	104336995
Reduced:	ClOSN2C11H17 (1)
Stoich.:	ABCD2E11F17 (1)
Weight, g/mol:	246.059362
ΔH_f, kcal/mol:	-29.79
Dipole, Da:	3.6
IP(EA), eV:	-9.05(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(ethoxymethyl)-6-propylsulfanylpyrimidine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)SCC(C)C

DOS

IR

Vibrations