Geometry & MOs

Info

ID:	210708
PubChem CID:	80843392
Reduced:	ON4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	216.102254
ΔH_f, kcal/mol:	-46.92
Dipole, Da:	2.72
IP(EA), eV:	-8.55(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propane-1,3-diol

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1NCC(CC)(CC)O)NC

DOS

IR

Vibrations