Geometry & MOs

Info

ID:	242412
PubChem CID:	96099947
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-86.47
Dipole, Da:	4.52
IP(EA), eV:	-9.35(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations