Geometry & MOs

Info

ID:	272500
PubChem CID:	103744010
Reduced:	O4N5C12H13 (1)
Stoich.:	A4B5C12D13 (1)
Weight, g/mol:	291.096754
ΔH_f, kcal/mol:	-10.22
Dipole, Da:	7.5
IP(EA), eV:	-9.18(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylamino)-3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCC2=NC=NO2

DOS

IR

Vibrations