Geometry & MOs

Info

ID:	89281
PubChem CID:	49960217
Reduced:	N2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	336.04734
ΔH_f, kcal/mol:	-27.46
Dipole, Da:	1.33
IP(EA), eV:	-8.67(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-propan-2-ylphenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC2=NN=C(O2)COC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations