Geometry & MOs

Info

ID:	426943
PubChem CID:	135154674
Reduced:	FPO4N7C23H33 (1)
Stoich.:	ABC4D7E23F33 (1)
Weight, g/mol:	249.122575
ΔH_f, kcal/mol:	-208.46
Dipole, Da:	3.58
IP(EA), eV:	-8.88(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC(=O)C(C)(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)NCC3=CC(=CC=C3)F

DOS

IR

Vibrations