Geometry & MOs

Info

ID:	268941
PubChem CID:	103602769
Reduced:	NOBr2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	418.91102
ΔH_f, kcal/mol:	-53.85
Dipole, Da:	3.54
IP(EA), eV:	-9.17(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[[1-(4-chlorophenyl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

CCCCCCC(C)NCC1=CC(=C(C(=C1)Br)O)Br

DOS

IR

Vibrations