Geometry & MOs

Info

ID:	242396
PubChem CID:	96099928
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-40.2
Dipole, Da:	2.61
IP(EA), eV:	-8.34(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,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)OC

DOS

IR

Vibrations