Geometry & MOs

Info

ID:	267966
PubChem CID:	103591898
Reduced:	FN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	288.094392
ΔH_f, kcal/mol:	-95.08
Dipole, Da:	5.58
IP(EA), eV:	-9.1(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-methyl-N-(3-methylsulfinylbutyl)-2-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)[N+](=O)[O-])NC2(CCOC2)C

DOS

IR

Vibrations