Geometry & MOs

Info

ID:	373648
PubChem CID:	131318251
Reduced:	BrOF2N2C7H7 (1)
Stoich.:	ABC2D2E7F7 (1)
Weight, g/mol:	214.01056
ΔH_f, kcal/mol:	-125.7
Dipole, Da:	1.12
IP(EA), eV:	-8.2(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-ethylbenzene-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1N)OC(F)F)Br)N

DOS

IR

Vibrations