Geometry & MOs

Info

ID:	255439
PubChem CID:	103132028
Reduced:	ClON5C8H8 (1)
Stoich.:	ABC5D8E8 (1)
Weight, g/mol:	252.077789
ΔH_f, kcal/mol:	59.23
Dipole, Da:	3.02
IP(EA), eV:	-9.79(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NC(=NC(=N2)Cl)OC

DOS

IR

Vibrations