Geometry & MOs

Info

ID:	212922
PubChem CID:	81062247
Reduced:	BFNO3C12H19 (1)
Stoich.:	ABCD3E12F19 (1)
Weight, g/mol:	281.179838
ΔH_f, kcal/mol:	-229.06
Dipole, Da:	2.73
IP(EA), eV:	-9.16(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methoxy-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]boronic acid

Drug info:

PubChemData

Smile

B(C1=CC(=CC(=C1)F)CN(C)CCOCC)(O)O

DOS

IR

Vibrations