Geometry & MOs

Info

ID:	348353
PubChem CID:	127273418
Reduced:	OSN8C12H18 (1)
Stoich.:	ABC8D12E18 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	65.76
Dipole, Da:	6.1
IP(EA), eV:	-9.51(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropanoyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)CCSC3=NN=NN3C

DOS

IR

Vibrations