Geometry & MOs

Info

ID:	210583
PubChem CID:	80826149
Reduced:	ON3C6H11 (2)
Stoich.:	AB3C6D11 (2)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-56.59
Dipole, Da:	3.08
IP(EA), eV:	-9.04(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-amino-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=NC(=N2)NCCOCCO)N

DOS

IR

Vibrations