Geometry & MOs

Info

ID:	412988
PubChem CID:	135085932
Reduced:	NVCl3C8H9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	232.051859
ΔH_f, kcal/mol:	-95.79
Dipole, Da:	1.85
IP(EA), eV:	-8.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]boronic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N=[V](Cl)(Cl)Cl

DOS

IR

Vibrations