Geometry & MOs

Info

ID:	143482
PubChem CID:	53215836
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	269.083413
ΔH_f, kcal/mol:	-26.77
Dipole, Da:	4.62
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCCNCC2)C#N

DOS

IR

Vibrations