Geometry & MOs

Info

ID:	202685
PubChem CID:	79709812
Reduced:	FO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	265.164937
ΔH_f, kcal/mol:	-75.14
Dipole, Da:	3.24
IP(EA), eV:	-9.45(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[cyclohexyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid

Drug info:

PubChemData

Smile

CCOCC1=CC(=CC(=C1)F)C#CCCO

DOS

IR

Vibrations