Geometry & MOs

Info

ID:	409745
PubChem CID:	135082530
Reduced:	BC25H43 (1)
Stoich.:	AB25C43 (1)
Weight, g/mol:	216.204931
ΔH_f, kcal/mol:	-43.66
Dipole, Da:	0.69
IP(EA), eV:	-8.87(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-cyclohept-2-en-1-yl-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

B(CC=C(C)C)([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C

DOS

IR

Vibrations