Geometry & MOs

Info

ID:	409910
PubChem CID:	135082697
Reduced:	BOC30H45 (1)
Stoich.:	ABC30D45 (1)
Weight, g/mol:	326.314481
ΔH_f, kcal/mol:	-45.46
Dipole, Da:	2.76
IP(EA), eV:	-8.73(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-prop-2-enylborane

Drug info:

PubChemData

Smile

B(CC(=C)COC1=CC=CC=C1)([C@H]2[C@@H](CC[C@H]3[C@@H]2C3(C)C)C)[C@H]4[C@@H](CC[C@H]5[C@@H]4C5(C)C)C

DOS

IR

Vibrations