Geometry & MOs

Info

ID:	257512
PubChem CID:	103146734
Reduced:	BrClON2F3C11H11 (1)
Stoich.:	ABCD2E3F11G11 (1)
Weight, g/mol:	387.96509
ΔH_f, kcal/mol:	-151.33
Dipole, Da:	5.06
IP(EA), eV:	-10.22(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodopyrimidine

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NC(=N2)CCOCC(F)(F)F)Cl)Br

DOS

IR

Vibrations