Geometry & MOs

Info

ID:	365985
PubChem CID:	127319275
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-25.65
Dipole, Da:	6.28
IP(EA), eV:	-9.62(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CCC3=NC(=NO3)CN4C=CC=N4

DOS

IR

Vibrations