Geometry & MOs

Info

ID:	89310
PubChem CID:	49960436
Reduced:	ON2H18C22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	310.03169
ΔH_f, kcal/mol:	76.84
Dipole, Da:	5.34
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=NN=C(O2)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations