Geometry & MOs

Info

ID:	264769
PubChem CID:	103489498
Reduced:	FNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	268.148204
ΔH_f, kcal/mol:	-171.12
Dipole, Da:	5.31
IP(EA), eV:	-9.17(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-ethoxypropan-2-yloxymethyl)-4-methoxyphenyl]boronic acid

Drug info:

PubChemData

Smile

CCOCC(C)OC(=O)C1=C(C=C(C=C1)N)F

DOS

IR

Vibrations