Geometry & MOs

Info

ID:	209922
PubChem CID:	80739238
Reduced:	BrNOS2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	266.062219
ΔH_f, kcal/mol:	-6.0
Dipole, Da:	4.38
IP(EA), eV:	-8.64(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(4-chloro-2-fluorophenyl)-5-methoxybenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCCN(CCBr)C(=O)C1=CC2=C(S1)C=CS2

DOS

IR

Vibrations