Geometry & MOs

Info

ID:	52588
PubChem CID:	12015517
Reduced:	N4O8H12C13 (1)
Stoich.:	A4B8C12D13 (1)
Weight, g/mol:	314.005412
ΔH_f, kcal/mol:	-53.66
Dipole, Da:	6.65
IP(EA), eV:	-9.25(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[chloro(dinitro)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=NC(=NO1)C2=CC=C(C=C2)OC)([N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations