Geometry & MOs

Info

ID:	361038
PubChem CID:	127301922
Reduced:	O3N5C14H19 (1)
Stoich.:	A3B5C14D19 (1)
Weight, g/mol:	367.131425
ΔH_f, kcal/mol:	-105.58
Dipole, Da:	1.85
IP(EA), eV:	-9.85(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylsulfonylpiperidin-3-yl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(C=N1)NC(=O)CN2CCC(=O)NC2=O

DOS

IR

Vibrations