Geometry & MOs

Info

ID:	213982
PubChem CID:	81065619
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-89.43
Dipole, Da:	2.58
IP(EA), eV:	-8.83(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=NC2=CC=CC=C2O1

DOS

IR

Vibrations