Geometry & MOs

Info

ID:	378499
PubChem CID:	134224585
Reduced:	O3C11H20 (1)
Stoich.:	A3B11C20 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	-179.87
Dipole, Da:	2.36
IP(EA), eV:	-10.46(2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-butan-2-ylspiro[2.4]heptan-1-yl)-3-phenyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1(CC2(CC(CC(C1)(C2)O)O)O)C

DOS

IR

Vibrations