Geometry & MOs

Info

ID:	367168
PubChem CID:	127323584
Reduced:	ON7C19H29 (1)
Stoich.:	AB7C19D29 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	5.39
Dipole, Da:	3.73
IP(EA), eV:	-8.97(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)C3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations