Geometry & MOs

Info

ID:	289085
PubChem CID:	104335006
Reduced:	ClF2N2O2H9C12 (1)
Stoich.:	AB2C2D2E9F12 (1)
Weight, g/mol:	284.140389
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	2.84
IP(EA), eV:	-10.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(methoxymethyl)-6-(4-propylpiperazin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)Cl)OC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations