Geometry & MOs

Info

ID:	257508
PubChem CID:	103146706
Reduced:	BrOCl2F2N2H7C8 (1)
Stoich.:	ABC2D2E2F7G8 (1)
Weight, g/mol:	399.8854
ΔH_f, kcal/mol:	-109.36
Dipole, Da:	2.66
IP(EA), eV:	-10.39(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(COCC(F)F)C1=NC(=C(C(=N1)Cl)Br)Cl

DOS

IR

Vibrations