Geometry & MOs

Info

ID:	344053
PubChem CID:	127267229
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	302.149124
ΔH_f, kcal/mol:	-86.58
Dipole, Da:	3.34
IP(EA), eV:	-9.08(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylpyridin-2-yl)-3-(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)NCCOC(=O)C2CC2

DOS

IR

Vibrations