Geometry & MOs

Info

ID:	89188
PubChem CID:	49959829
Reduced:	N4O6H12C19 (1)
Stoich.:	A4B6C12D19 (1)
Weight, g/mol:	230.085541
ΔH_f, kcal/mol:	45.13
Dipole, Da:	4.67
IP(EA), eV:	-8.9(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OCC3=NN=C(O3)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations