Geometry & MOs

Info

ID:	89732
PubChem CID:	49964148
Reduced:	ClO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	176.075708
ΔH_f, kcal/mol:	-136.39
Dipole, Da:	3.11
IP(EA), eV:	-8.8(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylbenzimidazol-2-yl)boronic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)C(C2=C(C=CC=C2Cl)Cl)O)OC

DOS

IR

Vibrations