Geometry & MOs

Info

ID:	365979
PubChem CID:	127319269
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	59.36
Dipole, Da:	3.66
IP(EA), eV:	-9.34(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NC(=NO2)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations