Geometry & MOs

Info

ID:	198138
PubChem CID:	79054784
Reduced:	BrFNSC13H13 (1)
Stoich.:	ABCDE13F13 (1)
Weight, g/mol:	249.072055
ΔH_f, kcal/mol:	-13.72
Dipole, Da:	3.6
IP(EA), eV:	-8.57(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-3-fluoro-5-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)NC(C)C2=C(C=CS2)Br

DOS

IR

Vibrations