Geometry & MOs

Info

ID:	242310
PubChem CID:	96099842
Reduced:	N5C12H19 (1)
Stoich.:	A5B12C19 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	47.11
Dipole, Da:	2.11
IP(EA), eV:	-9.22(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazol-4-yl)-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H](CCN)N1C(=NC2=C1N=CC=C2)CNC

DOS

IR

Vibrations