Geometry & MOs

Info

ID:	89195
PubChem CID:	49959863
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	4.65
Dipole, Da:	3.69
IP(EA), eV:	-9.5(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=NN=C(O2)C3CC3)C)Br

DOS

IR

Vibrations