Geometry & MOs

Info

ID:	365998
PubChem CID:	127319303
Reduced:	ON2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	29.4
Dipole, Da:	1.67
IP(EA), eV:	-9.74(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pentan-3-yl-4-[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1COCC1C2=NC(=NO2)CN3C=CC=N3

DOS

IR

Vibrations