Geometry & MOs

Info

ID:	126694
PubChem CID:	50973316
Reduced:	ON3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	388.164774
ΔH_f, kcal/mol:	34.79
Dipole, Da:	4.14
IP(EA), eV:	-8.32(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenyl)-5-[[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(CN1C=CC2=CC=CC=C21)N3CC4=C(C3=O)C=CC=N4

DOS

IR

Vibrations