Geometry & MOs

Info

ID:	196024
PubChem CID:	78767527
Reduced:	NO4C21H31 (1)
Stoich.:	AB4C21D31 (1)
Weight, g/mol:	342.060034
ΔH_f, kcal/mol:	-174.47
Dipole, Da:	3.86
IP(EA), eV:	-8.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C=CC(=O)NC2CCC(CC2)O)OCC

DOS

IR

Vibrations