Geometry & MOs

Info

ID:	392676
PubChem CID:	135017579
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	-31.91
Dipole, Da:	0.4
IP(EA), eV:	-8.73(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethylbut-1-ynyl)-5-phenyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC2=CC=C(O2)CCCC/C=C\C1

DOS

IR

Vibrations