Geometry & MOs

Info

ID:	88908
PubChem CID:	49957610
Reduced:	BrN2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	378.113506
ΔH_f, kcal/mol:	-44.5
Dipole, Da:	6.13
IP(EA), eV:	-8.61(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-3,5-dimethylphenoxy)methyl]-5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC2=NN=C(O2)C3=CC(=C(C=C3)OC)Br

DOS

IR

Vibrations