Geometry & MOs

Info

ID:	210742
PubChem CID:	80850825
Reduced:	O2N5C12H23 (1)
Stoich.:	A2B5C12D23 (1)
Weight, g/mol:	280.226312
ΔH_f, kcal/mol:	-73.18
Dipole, Da:	3.21
IP(EA), eV:	-9.44(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-1-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-2-ol

Drug info:

PubChemData

Smile

CCCOC1=NC(=NC(=N1)NCC(C)CCO)NC

DOS

IR

Vibrations