Geometry & MOs

Info

ID:	257502
PubChem CID:	103146650
Reduced:	IF2N2O2C11H13 (1)
Stoich.:	AB2C2D2E11F13 (1)
Weight, g/mol:	316.059025
ΔH_f, kcal/mol:	-130.43
Dipole, Da:	7.93
IP(EA), eV:	-9.25(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-phenyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=O)N=C(N2)CCOCC(F)F)I

DOS

IR

Vibrations