Geometry & MOs

Info

ID:	270209
PubChem CID:	103634654
Reduced:	BrNF3O4H9C11 (1)
Stoich.:	ABC3D4E9F11 (1)
Weight, g/mol:	215.107005
ΔH_f, kcal/mol:	-301.06
Dipole, Da:	1.62
IP(EA), eV:	-9.77(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethoxy]ethanol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)C(=O)N(CC(=O)O)CC(F)(F)F)O

DOS

IR

Vibrations