Geometry & MOs

Info

ID:	197813
PubChem CID:	79002978
Reduced:	NOF2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	314.130028
ΔH_f, kcal/mol:	-91.03
Dipole, Da:	1.73
IP(EA), eV:	-9.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methylhexyl)-4-methylsulfonyl-2-nitroaniline

Drug info:

PubChemData

Smile

C1C(CN1)OCC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations