Geometry & MOs

Info

ID:	296134
PubChem CID:	117557452
Reduced:	ON4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-47.85
Dipole, Da:	4.79
IP(EA), eV:	-8.75(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCN(C)C1=NC(=NC(=C1)NCCCO)C

DOS

IR

Vibrations