Geometry & MOs

Info

ID:	125410
PubChem CID:	50923172
Reduced:	OC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	315.102651
ΔH_f, kcal/mol:	-64.58
Dipole, Da:	1.35
IP(EA), eV:	-8.12(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(2-aminopyrimidin-4-yl)oxy-1-hydroxy-4-methyl-3H-2,1-benzoxaborol-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCCCC1=CC(=CC2=C1C3=C(C=C2)OCO3)C

DOS

IR

Vibrations