Geometry & MOs

Info

ID:	289853
PubChem CID:	104379447
Reduced:	ON4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	260.109169
ΔH_f, kcal/mol:	29.64
Dipole, Da:	1.36
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

COCCNCCNCC1=NN(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations