Geometry & MOs

Info

ID:	409894
PubChem CID:	135082681
Reduced:	BO3N9C15H29 (1)
Stoich.:	AB3C9D15E29 (1)
Weight, g/mol:	396.337091
ΔH_f, kcal/mol:	38.64
Dipole, Da:	3.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.227892
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[B-](O/N=C(/C(=N/N)/C)\C)(O/N=C(/C(=N/N)/C)\C)(O/N=C(/C(=N/N)/C)\C)CC=C

DOS

IR

Vibrations