Geometry & MOs

Info

ID:	400837
PubChem CID:	135049209
Reduced:	BSiO3C29H41 (1)
Stoich.:	ABC3D29E41 (1)
Weight, g/mol:	301.13913
ΔH_f, kcal/mol:	-228.16
Dipole, Da:	3.15
IP(EA), eV:	-9.1(0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

chloro-bis(1H-imidazol-3-ium-3-yl)-[(2R)-1-phenylpropan-2-yl]boranuide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C[C@@]2(CCCCC2=C)[C@@H](C3=CC=CC=C3)O[Si](C)(C)C4=CC=CC=C4

DOS

IR

Vibrations