Geometry & MOs

Info

ID:	183601
PubChem CID:	77044363
Reduced:	ON6C14H18 (1)
Stoich.:	AB6C14D18 (1)
Weight, g/mol:	282.107653
ΔH_f, kcal/mol:	46.62
Dipole, Da:	5.32
IP(EA), eV:	-8.74(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C(C(NN1)C2=CC=CC=C2)C(=O)NCCC3=NC=NN3

DOS

IR

Vibrations