Geometry & MOs

Info

ID:	403238
PubChem CID:	135059319
Reduced:	BS2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	296.101834
ΔH_f, kcal/mol:	95.79
Dipole, Da:	2.79
IP(EA), eV:	-7.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dichloro-(1,3-dimethylimidazol-1-ium-2-yl)-(2,4,6-trimethylphenyl)boranuide

Drug info:

PubChemData

Smile

[B-](C1=[N+](C=CN1C)C)N2C3=CC=CC=C3SC2=S

DOS

IR

Vibrations