Geometry & MOs

Info

ID:	150838
PubChem CID:	53790534
Reduced:	N7C27H29 (1)
Stoich.:	A7B27C29 (1)
Weight, g/mol:	253.947557
ΔH_f, kcal/mol:	195.8
Dipole, Da:	3.98
IP(EA), eV:	-9.4(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[dichloro-(2-chlorophenyl)methoxy]boronic acid

Drug info:

PubChemData

Smile

C#CCCN1C(=NC(=N1)CC2CCCCC2)CC3=CC(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5

DOS

IR

Vibrations