Geometry & MOs

Info

ID:	365978
PubChem CID:	127319268
Reduced:	O3N5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-10.61
Dipole, Da:	6.49
IP(EA), eV:	-9.34(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclohexyl-3-isoquinolin-1-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=NC=CC3=CC=CC=C32)N4C(=O)C5(CCCC5)NC4=O

DOS

IR

Vibrations