Geometry & MOs

Info

ID:	210982
PubChem CID:	80880910
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	329.07389
ΔH_f, kcal/mol:	-93.81
Dipole, Da:	5.01
IP(EA), eV:	-9.63(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=N1)NC)OCC2CCOCC2

DOS

IR

Vibrations