Geometry & MOs

Info

ID:	269822
PubChem CID:	103619234
Reduced:	OBr2N2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	466.83543
ΔH_f, kcal/mol:	-22.77
Dipole, Da:	3.75
IP(EA), eV:	-8.58(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CCN1CCC(C1)CNCC2=CC(=C(C(=C2)Br)O)Br

DOS

IR

Vibrations