Geometry & MOs

Info

ID:	257509
PubChem CID:	103146707
Reduced:	IOCl2N2F3H6C8 (1)
Stoich.:	ABC2D2E3F6G8 (1)
Weight, g/mol:	403.99639
ΔH_f, kcal/mol:	-151.39
Dipole, Da:	4.1
IP(EA), eV:	-10.19(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(COCC(F)(F)F)C1=NC(=C(C(=N1)Cl)I)Cl

DOS

IR

Vibrations