Geometry & MOs

Info

ID:	88979
PubChem CID:	49958468
Reduced:	N3O5H15C18 (1)
Stoich.:	A3B5C15D18 (1)
Weight, g/mol:	357.096085
ΔH_f, kcal/mol:	2.04
Dipole, Da:	5.14
IP(EA), eV:	-8.52(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations