Geometry & MOs

Info

ID:	349386
PubChem CID:	127275173
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	-64.42
Dipole, Da:	4.38
IP(EA), eV:	-9.16(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(morpholine-4-carbonyl)piperidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)CN3CCCCC3C(=O)N4CCOCC4

DOS

IR

Vibrations