Geometry & MOs

Info

ID:	242349
PubChem CID:	96099881
Reduced:	FO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-84.22
Dipole, Da:	3.45
IP(EA), eV:	-9.57(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1H-pyrazol-3-yl)-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)N1C(=NC2=C1C(=CC=C2)F)CNC

DOS

IR

Vibrations