Geometry & MOs

Info

ID:	242665
PubChem CID:	97857801
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	301.097503
ΔH_f, kcal/mol:	-140.83
Dipole, Da:	5.34
IP(EA), eV:	-8.78(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-fluorophenyl)-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)NC(C)(C)CO)C1=CC=C(C=C1)OC

DOS

IR

Vibrations