Geometry & MOs

Info

ID:	88949
PubChem CID:	49958074
Reduced:	BrN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	9.76
Dipole, Da:	4.75
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1OCC2=NN=C(O2)C3=CC=CC=C3Br

DOS

IR

Vibrations