Geometry & MOs

Info

ID:	257503
PubChem CID:	103146669
Reduced:	ClON2F3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	288.004403
ΔH_f, kcal/mol:	-147.56
Dipole, Da:	5.95
IP(EA), eV:	-9.99(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)CCOCC(F)(F)F)Cl

DOS

IR

Vibrations