Geometry & MOs

Info

ID:	385349
PubChem CID:	134978836
Reduced:	NC14H17 (1)
Stoich.:	AB14C17 (1)
Weight, g/mol:	316.07647
ΔH_f, kcal/mol:	67.44
Dipole, Da:	2.05
IP(EA), eV:	-8.71(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(Z)-2-bromo-1-chlorohex-1-enyl]-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

CCN1CCCC1C#CC2=CC=CC=C2

DOS

IR

Vibrations