Geometry & MOs

Info

ID:	365982
PubChem CID:	127319272
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	22.98
Dipole, Da:	4.36
IP(EA), eV:	-9.48(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopentylmethyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(=O)N1CCCC(C1)C2=NC(=NO2)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations