Geometry & MOs

Info

ID:	409628
PubChem CID:	135082410
Reduced:	BH19C22 (1)
Stoich.:	AB19C22 (1)
Weight, g/mol:	196.142331
ΔH_f, kcal/mol:	76.87
Dipole, Da:	1.0
IP(EA), eV:	-8.79(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1,3,4,5,6,7-hexahydro-2-benzoborole

Drug info:

PubChemData

Smile

B(C1=CC=CC=C1)(C2=CC=CC=C2)C3(C=CC4=CC=CC=C43)C

DOS

IR

Vibrations