Geometry & MOs

Info

ID:	242346
PubChem CID:	96099878
Reduced:	F2O2N3C12H13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-125.9
Dipole, Da:	5.42
IP(EA), eV:	-9.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-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(=C(C=C2)F)F)CNC

DOS

IR

Vibrations