Geometry & MOs

Info

ID:	242421
PubChem CID:	96099957
Reduced:	OF2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-90.46
Dipole, Da:	4.14
IP(EA), eV:	-9.31(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-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)F

DOS

IR

Vibrations