Geometry & MOs

Info

ID:	89179
PubChem CID:	49959766
Reduced:	Br2N2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-15.21
Dipole, Da:	2.68
IP(EA), eV:	-9.08(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)C3=CC(=C(C=C3)OC)Br)Br

DOS

IR

Vibrations