Geometry & MOs

Info

ID:	88941
PubChem CID:	49957951
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	-25.19
Dipole, Da:	6.21
IP(EA), eV:	-8.59(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)C3=CC=CC=C3OC)C

DOS

IR

Vibrations