Geometry & MOs

Info

ID:	88977
PubChem CID:	49958451
Reduced:	N3O4H13C16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	297.074956
ΔH_f, kcal/mol:	24.75
Dipole, Da:	3.76
IP(EA), eV:	-8.94(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-nitrophenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC2=NN=C(O2)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations