Geometry & MOs

Info

ID:	344054
PubChem CID:	127267230
Reduced:	ON3C7H9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	306.124052
ΔH_f, kcal/mol:	-14.57
Dipole, Da:	3.51
IP(EA), eV:	-9.19(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoropyridin-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)N2CCCC(C2)C3=NC(=O)NN3

DOS

IR

Vibrations