Geometry & MOs

Info

ID:	89126
PubChem CID:	49959530
Reduced:	N3O5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	419.01168
ΔH_f, kcal/mol:	-37.53
Dipole, Da:	5.45
IP(EA), eV:	-8.99(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations