Geometry & MOs

Info

ID:	89147
PubChem CID:	49959671
Reduced:	BrN2O2H17C21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	350.06299
ΔH_f, kcal/mol:	34.74
Dipole, Da:	6.29
IP(EA), eV:	-8.93(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-methylphenoxy)methyl]-5-cyclohexyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)CC3=CC=CC4=CC=CC=C43)Br

DOS

IR

Vibrations