Geometry & MOs

Info

ID:	260056
PubChem CID:	103179445
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	298.158769
ΔH_f, kcal/mol:	-75.16
Dipole, Da:	6.46
IP(EA), eV:	-8.39(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]boronic acid

Drug info:

PubChemData

Smile

COCCCOCCNC1=C(C=C(C=C1)C#N)OC

DOS

IR

Vibrations