Geometry & MOs

Info

ID:	342720
PubChem CID:	127265880
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	302.149124
ΔH_f, kcal/mol:	-27.48
Dipole, Da:	4.45
IP(EA), eV:	-9.15(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=NNN=N2)O)C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations