Geometry & MOs

Info

ID:	88935
PubChem CID:	49957883
Reduced:	BrN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-32.85
Dipole, Da:	1.74
IP(EA), eV:	-9.0(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=CC(=CC(=C3)C)C)Br

DOS

IR

Vibrations