Geometry & MOs

Info

ID:	296102
PubChem CID:	117556692
Reduced:	ON4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-34.44
Dipole, Da:	3.65
IP(EA), eV:	-8.77(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCNC1=CC(=NC=N1)N(C)CCCO

DOS

IR

Vibrations