Geometry & MOs

Info

ID:	260045
PubChem CID:	103179369
Reduced:	ClFNO2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	302.05176
ΔH_f, kcal/mol:	-122.28
Dipole, Da:	6.18
IP(EA), eV:	-8.63(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[2-(3-methoxypropoxy)ethoxymethyl]benzene

Drug info:

PubChemData

Smile

COCCCOCCNC1=CC(=C(C=C1)F)Cl

DOS

IR

Vibrations