Geometry & MOs

Info

ID:	426930
PubChem CID:	135154588
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-43.93
Dipole, Da:	2.97
IP(EA), eV:	-8.65(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(1,3-dihydro-2-benzofuran-5-yloxy)piperidin-1-yl]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

Drug info:

PubChemData

Smile

CC1=CC2=C(CN(C2)C(=O)C3CC3)N=C1N4CCC(CC4)OC5=CN=C(C=C5)OC

DOS

IR

Vibrations