Geometry & MOs

Info

ID:	410150
PubChem CID:	135082941
Reduced:	O7H10C20 (1)
Stoich.:	A7B10C20 (1)
Weight, g/mol:	394.377082
ΔH_f, kcal/mol:	-117.58
Dipole, Da:	1.91
IP(EA), eV:	-9.72(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z)-cyclooct-2-en-1-yl]-bis[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)OC45[C@H]6[C@H](O6)C(=O)C7=C(C=CC(=C74)[C@@]3(O5)[C@H]8[C@@H](C2=O)O8)O

DOS

IR

Vibrations