Geometry & MOs

Info

ID:	289123
PubChem CID:	104336984
Reduced:	ClO3N4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	260.075012
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	2.8
IP(EA), eV:	-10.32(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(ethoxymethyl)-6-(2-methylpropylsulfanyl)pyrimidine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=C1)C2=CC(=NC(=N2)COC)Cl

DOS

IR

Vibrations