Geometry & MOs

Info

ID:	409744
PubChem CID:	135082529
Reduced:	BNO2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	354.345782
ΔH_f, kcal/mol:	-129.4
Dipole, Da:	3.88
IP(EA), eV:	-10.36(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbut-2-enyl-bis[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane

Drug info:

PubChemData

Smile

B1(O[C@H](C2(O1)CCCC2)C)CC(=C)C#N

DOS

IR

Vibrations