Geometry & MOs

Info

ID:	296182
PubChem CID:	117559346
Reduced:	ClFON2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	294.01679
ΔH_f, kcal/mol:	-43.11
Dipole, Da:	4.8
IP(EA), eV:	-8.01(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-bromo-2-methylphenyl)-2-fluorobenzene-1,4-diamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=CC(=C(C=C2)N)F)Cl

DOS

IR

Vibrations