Geometry & MOs

Info

ID:	362421
PubChem CID:	127307766
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-133.9
Dipole, Da:	5.33
IP(EA), eV:	-8.98(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-oxo-3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)CN3CC(=O)NC3=O

DOS

IR

Vibrations