Geometry & MOs

Info

ID:	137770
PubChem CID:	52259481
Reduced:	F3N3O6H12C17 (1)
Stoich.:	A3B3C6D12E17 (1)
Weight, g/mol:	360.11215
ΔH_f, kcal/mol:	-184.64
Dipole, Da:	4.6
IP(EA), eV:	-9.3(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(2-fluoro-4-nitrophenoxy)acetyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=NOC(=N2)COC3=C(C=C(C=C3)[N+](=O)[O-])F)OC(F)F

DOS

IR

Vibrations