Geometry & MOs

Info

ID:	259916
PubChem CID:	103177393
Reduced:	O6C15H20 (1)
Stoich.:	A6B15C20 (1)
Weight, g/mol:	246.07712
ΔH_f, kcal/mol:	-228.41
Dipole, Da:	7.01
IP(EA), eV:	-9.06(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyrimidine

Drug info:

PubChemData

Smile

COCCCOCCOC1=CC2=C(CC(O2)C(=O)O)C=C1

DOS

IR

Vibrations