Geometry & MOs

Info

ID:	257511
PubChem CID:	103146726
Reduced:	ClION2F3C11H13 (1)
Stoich.:	ABCD2E3F11G13 (1)
Weight, g/mol:	357.96954
ΔH_f, kcal/mol:	-169.57
Dipole, Da:	5.46
IP(EA), eV:	-9.98(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=NC(=N1)CCOCC(F)(F)F)Cl)I

DOS

IR

Vibrations