Geometry & MOs

Info

ID:	257507
PubChem CID:	103146705
Reduced:	BrOCl2N2F3H6C8 (1)
Stoich.:	ABC2D2E3F6G8 (1)
Weight, g/mol:	333.90869
ΔH_f, kcal/mol:	-164.74
Dipole, Da:	3.8
IP(EA), eV:	-10.42(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations