Geometry & MOs

Info

ID:	365261
PubChem CID:	127317606
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-128.73
Dipole, Da:	3.4
IP(EA), eV:	-8.81(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-cyclobutylpiperazin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)CN3CCC(=O)NC3=O

DOS

IR

Vibrations