Geometry & MOs

Info

ID:	348161
PubChem CID:	127273223
Reduced:	ON5C17H27 (1)
Stoich.:	AB5C17D27 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-36.28
Dipole, Da:	5.27
IP(EA), eV:	-8.55(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)NCC3=CN4CCCCC4=N3

DOS

IR

Vibrations