Geometry & MOs

Info

ID:	360716
PubChem CID:	127301361
Reduced:	ClO2N4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-19.11
Dipole, Da:	4.58
IP(EA), eV:	-8.79(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN2CCOCC2)CC3=NN=C(O3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations