Geometry & MOs

Info

ID:	202696
PubChem CID:	79710059
Reduced:	FOSN3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	255.144202
ΔH_f, kcal/mol:	13.78
Dipole, Da:	2.98
IP(EA), eV:	-9.25(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-5-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]boronic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C#CCCO)F)CSC2=NC=NN2

DOS

IR

Vibrations