Geometry & MOs

Info

ID:	305497
PubChem CID:	124956949
Reduced:	ON3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	46.25
Dipole, Da:	7.33
IP(EA), eV:	-9.68(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C2=NN=C(O2)[C@@H]3CCCCN3C(=O)C4=CN=CC=C4

DOS

IR

Vibrations