Geometry & MOs

Info

ID:	360636
PubChem CID:	127301281
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	386.243024
ΔH_f, kcal/mol:	-50.05
Dipole, Da:	7.1
IP(EA), eV:	-8.76(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)CC3=CC(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations