Geometry & MOs

Info

ID:	242399
PubChem CID:	96099932
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-44.79
Dipole, Da:	3.46
IP(EA), eV:	-8.53(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-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=CC(=C2)O

DOS

IR

Vibrations