Geometry & MOs

Info

ID:	296488
PubChem CID:	117578314
Reduced:	O2N4C9H14 (1)
Stoich.:	A2B4C9D14 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-65.79
Dipole, Da:	3.48
IP(EA), eV:	-9.2(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(butylamino)-2-methylpyrimidin-4-yl]amino]butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations