Geometry & MOs

Info

ID:	296487
PubChem CID:	117578299
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	-94.51
Dipole, Da:	4.76
IP(EA), eV:	-8.91(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC(C)(C)C)NCCCC(=O)O

DOS

IR

Vibrations