Geometry & MOs

Info

ID:	89115
PubChem CID:	49959498
Reduced:	N3O4H13C17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	373.106256
ΔH_f, kcal/mol:	31.91
Dipole, Da:	8.83
IP(EA), eV:	-9.15(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C/C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations