Geometry & MOs

Info

ID:	151621
PubChem CID:	55161715
Reduced:	FON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	278.093724
ΔH_f, kcal/mol:	-33.87
Dipole, Da:	2.76
IP(EA), eV:	-9.33(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]boronic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCN3C=CN=C3C2)F

DOS

IR

Vibrations