Geometry & MOs

Info

ID:	213043
PubChem CID:	81062619
Reduced:	BrON3C11H20 (1)
Stoich.:	ABC3D11E20 (1)
Weight, g/mol:	267.164188
ΔH_f, kcal/mol:	-18.06
Dipole, Da:	2.73
IP(EA), eV:	-9.1(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]boronic acid

Drug info:

PubChemData

Smile

CCOCCN(C)CC1=C(C(=NN1C)C)Br

DOS

IR

Vibrations