Geometry & MOs

Info

ID:	385370
PubChem CID:	134978890
Reduced:	BCl2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	144.041631
ΔH_f, kcal/mol:	-37.11
Dipole, Da:	3.11
IP(EA), eV:	-9.18(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-2,5-dihydroborole

Drug info:

PubChemData

Smile

B(C1=C(CC(=CC1)C)C2=CC=CC=C2)(Cl)Cl

DOS

IR

Vibrations