Geometry & MOs

Info

ID:	202689
PubChem CID:	79710052
Reduced:	BFN2O2C13H20 (1)
Stoich.:	ABC2D2E13F20 (1)
Weight, g/mol:	291.02702
ΔH_f, kcal/mol:	-176.69
Dipole, Da:	2.59
IP(EA), eV:	-8.68(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromo-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol

Drug info:

PubChemData

Smile

B(C1=CC(=CC(=C1)F)CN2CCCN(CC2)C)(O)O

DOS

IR

Vibrations