Geometry & MOs

Info

ID:	242425
PubChem CID:	96099961
Reduced:	FON4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-47.22
Dipole, Da:	3.61
IP(EA), eV:	-9.05(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1C[C@@H](CN)O)C=C(C=C2)F

DOS

IR

Vibrations