Geometry & MOs

Info

ID:	257504
PubChem CID:	103146696
Reduced:	OCl2N2F3C9H9 (1)
Stoich.:	AB2C2D3E9F9 (1)
Weight, g/mol:	272.033953
ΔH_f, kcal/mol:	-185.56
Dipole, Da:	5.07
IP(EA), eV:	-10.34(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CCOCC(F)(F)F)Cl

DOS

IR

Vibrations