Geometry & MOs

Info

ID:	182720
PubChem CID:	76930507
Reduced:	NO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	281.137556
ΔH_f, kcal/mol:	-134.32
Dipole, Da:	6.79
IP(EA), eV:	-9.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)acetyl]-methylamino]butanoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)O)N(C)C(=O)C=CC

DOS

IR

Vibrations