Geometry & MOs

Info

ID:	408760
PubChem CID:	135081528
Reduced:	BC14H27 (1)
Stoich.:	AB14C27 (1)
Weight, g/mol:	234.251881
ΔH_f, kcal/mol:	-66.29
Dipole, Da:	0.1
IP(EA), eV:	-9.32(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R,8R)-2-(2,3-dimethylbutan-2-yl)-4,8-dimethyl-2-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

B1(CCC[C@@H]2[C@@H]1CCC2)C(C)(C)C(C)C

DOS

IR

Vibrations