Geometry & MOs

Info

ID:	267836
PubChem CID:	103589717
Reduced:	BrClSN2H4O6C7 (1)
Stoich.:	ABCD2E4F6G7 (1)
Weight, g/mol:	196.137577
ΔH_f, kcal/mol:	-130.76
Dipole, Da:	3.22
IP(EA), eV:	-10.57(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,1-N-diethyl-4-fluoro-5-methylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1OC(=O)NS(=O)(=O)Cl)Br)[N+](=O)[O-]

DOS

IR

Vibrations