Geometry & MOs

Info

ID:	172619
PubChem CID:	75531087
Reduced:	ClOF3N3C6H9 (1)
Stoich.:	ABC3D3E6F9 (1)
Weight, g/mol:	174.025502
ΔH_f, kcal/mol:	-167.82
Dipole, Da:	4.53
IP(EA), eV:	-10.33(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)boronic acid;hydrate

Drug info:

PubChemData

Smile

CNCCC1=NOC(=N1)C(F)(F)F.Cl

DOS

IR

Vibrations