Geometry & MOs

Info

ID:	426965
PubChem CID:	135154734
Reduced:	Cl2O2N5H23C24 (1)
Stoich.:	A2B2C5D23E24 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	4.91
IP(EA), eV:	-9.34(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-hydroxypiperidin-1-yl)-2,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

Drug info:

PubChemData

Smile

CN1CC(C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3C5=CN=CC=C5.Cl.Cl

DOS

IR

Vibrations