Geometry & MOs

Info

ID:	289266
PubChem CID:	104342563
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	284.184841
ΔH_f, kcal/mol:	-96.65
Dipole, Da:	5.08
IP(EA), eV:	-9.32(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)COC)NC2CCC(=O)N(C2=O)C

DOS

IR

Vibrations