Geometry & MOs

Info

ID:	181528
PubChem CID:	76756467
Reduced:	NO10C16H21 (1)
Stoich.:	AB10C16D21 (1)
Weight, g/mol:	238.125063
ΔH_f, kcal/mol:	-402.18
Dipole, Da:	3.83
IP(EA), eV:	-10.3(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-hydroxy-7-(3-hydroxypropoxy)-3H-2,1-benzoxaborol-3-yl]methylazanium

Drug info:

PubChemData

Smile

CC1C(OC(C(C1O)NC(=O)C=CC(=O)O)OC)COC(=O)C=CC(=O)O

DOS

IR

Vibrations