Geometry & MOs

Info

ID:	202690
PubChem CID:	79710053
Reduced:	BrFNO2C11H15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	239.149287
ΔH_f, kcal/mol:	-126.91
Dipole, Da:	2.73
IP(EA), eV:	-9.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[ethyl(propan-2-yl)amino]methyl]-5-fluorophenyl]boronic acid

Drug info:

PubChemData

Smile

CC(CNCC1=CC(=CC(=C1)Br)F)(CO)O

DOS

IR

Vibrations