Geometry & MOs

Info

ID:	183603
PubChem CID:	77044365
Reduced:	OCl2N4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	267.133139
ΔH_f, kcal/mol:	20.96
Dipole, Da:	1.88
IP(EA), eV:	-9.69(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-6-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C=CC(=O)NCCC2=NC=NN2)Cl

DOS

IR

Vibrations