Geometry & MOs

Info

ID:	365972
PubChem CID:	127319261
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-82.73
Dipole, Da:	4.67
IP(EA), eV:	-9.98(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(=O)NC1(CCCCC1)C2=NOC(=N2)C3CC4CCC3O4

DOS

IR

Vibrations