Geometry & MOs

Info

ID:	226117
PubChem CID:	87325814
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	361.094452
ΔH_f, kcal/mol:	-74.66
Dipole, Da:	3.31
IP(EA), eV:	-9.28(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(2-aminoethoxy)-1-hydroxy-4-methyl-3H-2,1-benzoxaborol-3-yl]acetyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)(C(=O)NOC)OC

DOS

IR

Vibrations