Geometry & MOs

Info

ID:	362382
PubChem CID:	127307727
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-21.44
Dipole, Da:	8.04
IP(EA), eV:	-8.68(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(C1)CN(C)C(=O)C2=NN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations