Geometry & MOs

Info

ID:	257506
PubChem CID:	103146704
Reduced:	ClON2F3C9H10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	351.89927
ΔH_f, kcal/mol:	-167.92
Dipole, Da:	3.73
IP(EA), eV:	-10.45(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)CCOCC(F)F)Cl)F

DOS

IR

Vibrations