Geometry & MOs

Info

ID:	385386
PubChem CID:	134978936
Reduced:	BSC7H13 (1)
Stoich.:	ABC7D13 (1)
Weight, g/mol:	216.204931
ΔH_f, kcal/mol:	-4.22
Dipole, Da:	1.42
IP(EA), eV:	-9.11(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(1S,5R)-5-methylcyclohex-3-en-1-yl]-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

B(CC=C)(CC=C)SC

DOS

IR

Vibrations