Geometry & MOs

Info

ID:	29168
PubChem CID:	832127
Reduced:	N2F3O3C14H15 (1)
Stoich.:	A2B3C3D14E15 (1)
Weight, g/mol:	286.038985
ΔH_f, kcal/mol:	-235.22
Dipole, Da:	5.38
IP(EA), eV:	-9.47(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-4-nitroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)N2[C@@]([C@@H]3CCCCC3=N2)(C(F)(F)F)O

DOS

IR

Vibrations