Geometry & MOs

Info

ID:	212718
PubChem CID:	81061605
Reduced:	BrON3C12H22 (1)
Stoich.:	ABC3D12E22 (1)
Weight, g/mol:	267.164188
ΔH_f, kcal/mol:	-23.69
Dipole, Da:	5.04
IP(EA), eV:	-8.8(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxyphenyl]boronic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)CN(C)CCOC(C)C)C

DOS

IR

Vibrations