Geometry & MOs

Info

ID:	326797
PubChem CID:	126688214
Reduced:	SN2O4C26H30 (1)
Stoich.:	AB2C4D26E30 (1)
Weight, g/mol:	290.092752
ΔH_f, kcal/mol:	-143.25
Dipole, Da:	2.76
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-fluoro-4-(2-hydroxyethylamino)pyrimidin-2-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)CC[C@H]2C3C4CCC5=C(C4CC[C@@]3(C(=O)C2=CO)C)C=CC(=C5)O

DOS

IR

Vibrations