Geometry & MOs

Info

ID:	145855
PubChem CID:	53602872
Reduced:	ClO2N4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	11.15
Dipole, Da:	6.21
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C=NN=C1C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations