Geometry & MOs

Info

ID:	257514
PubChem CID:	103146741
Reduced:	ClIOF2N2C12H16 (1)
Stoich.:	ABCD2E2F12G16 (1)
Weight, g/mol:	273.988753
ΔH_f, kcal/mol:	-121.07
Dipole, Da:	4.35
IP(EA), eV:	-9.94(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-fluoropyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations