Geometry & MOs

Info

ID:	212921
PubChem CID:	81062246
Reduced:	NOSC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	255.144202
ΔH_f, kcal/mol:	-27.39
Dipole, Da:	2.63
IP(EA), eV:	-8.25(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[2-ethoxyethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid

Drug info:

PubChemData

Smile

CCOCCN(C)CC1CSC2=CC=CC=C12

DOS

IR

Vibrations