Geometry & MOs

Info

ID:	419813
PubChem CID:	135109139
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	251.084081
ΔH_f, kcal/mol:	-32.9
Dipole, Da:	2.06
IP(EA), eV:	-9.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(thiomorpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C=N2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations