Geometry & MOs

Info

ID:	205866
PubChem CID:	80167350
Reduced:	FSN2O3C11H17 (1)
Stoich.:	ABC2D3E11F17 (1)
Weight, g/mol:	260.096106
ΔH_f, kcal/mol:	-165.38
Dipole, Da:	3.4
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-4-nitrophenyl)methyl]-4-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)NCC(C)CO)N)F

DOS

IR

Vibrations