Geometry & MOs

Info

ID:	272372
PubChem CID:	103740606
Reduced:	FNO2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	298.051361
ΔH_f, kcal/mol:	-163.9
Dipole, Da:	4.65
IP(EA), eV:	-10.01(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1COCCC1NC(=O)C2=C(C=CC(=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations