Geometry & MOs

Info

ID:	89208
PubChem CID:	49959903
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	389.00112
ΔH_f, kcal/mol:	12.39
Dipole, Da:	3.8
IP(EA), eV:	-9.49(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations