Geometry & MOs

Info

ID:	242414
PubChem CID:	96099949
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-82.75
Dipole, Da:	5.73
IP(EA), eV:	-9.47(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNCC1=NC2=CC=CC(=C2N1C[C@@H](CN)O)C(=O)O

DOS

IR

Vibrations