Geometry & MOs

Info

ID:	290248
PubChem CID:	104422391
Reduced:	NC6H13 (2)
Stoich.:	AB6C13 (2)
Weight, g/mol:	288.06374
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	3.16
IP(EA), eV:	-8.86(2.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2-bromo-5-fluorophenyl)methyl]-N-ethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CCNCCCNCCC1CCCC1

DOS

IR

Vibrations