Geometry & MOs

Info

ID:	257510
PubChem CID:	103146721
Reduced:	ClIOF2N2C12H16 (1)
Stoich.:	ABCD2E2F12G16 (1)
Weight, g/mol:	407.97132
ΔH_f, kcal/mol:	-116.55
Dipole, Da:	4.43
IP(EA), eV:	-9.92(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-iodo-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations