Geometry & MOs

Info

ID:	307342
PubChem CID:	125299628
Reduced:	OSN4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	227.090606
ΔH_f, kcal/mol:	57.5
Dipole, Da:	4.02
IP(EA), eV:	-8.76(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dioxo-5H-pyrimidin-4-yl)-N-(3-hydroxypropyl)acetamide

Drug info:

PubChemData

Smile

CS[C@@H]1NN=C(O1)[C@@H](CC2=C3C=CC=CC3=NC2)N

DOS

IR

Vibrations