Geometry & MOs

Info

ID:	258054
PubChem CID:	103150441
Reduced:	IF2O2N3C11H16 (1)
Stoich.:	AB2C2D3E11F16 (1)
Weight, g/mol:	280.99753
ΔH_f, kcal/mol:	-138.09
Dipole, Da:	4.69
IP(EA), eV:	-9.08(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1I)COC)CCOCC(F)F

DOS

IR

Vibrations