Geometry & MOs

Info

ID:	410044
PubChem CID:	135082833
Reduced:	BC11H13 (1)
Stoich.:	AB11C13 (1)
Weight, g/mol:	146.126681
ΔH_f, kcal/mol:	15.41
Dipole, Da:	0.69
IP(EA), eV:	-8.97(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,7R)-4-methyl-4-boratricyclo[5.2.1.02,6]dec-2(6)-ene

Drug info:

PubChemData

Smile

B1(CC=C(C1)C)C2=CC=CC=C2

DOS

IR

Vibrations