Geometry & MOs

Info

ID:	359854
PubChem CID:	127299898
Reduced:	O3N4C19H34 (1)
Stoich.:	A3B4C19D34 (1)
Weight, g/mol:	388.222289
ΔH_f, kcal/mol:	-148.71
Dipole, Da:	2.27
IP(EA), eV:	-8.59(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2CCN(CC2)CCC(=O)N3CCCCC3

DOS

IR

Vibrations