Geometry & MOs

Info

ID:	89193
PubChem CID:	49959855
Reduced:	BrON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	368.129156
ΔH_f, kcal/mol:	4.36
Dipole, Da:	2.63
IP(EA), eV:	-9.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(O2)C3CCCCC3)Br

DOS

IR

Vibrations