Geometry & MOs

Info

ID:	385297
PubChem CID:	134978721
Reduced:	BOSi2C15H37 (1)
Stoich.:	ABC2D15E37 (1)
Weight, g/mol:	218.203451
ΔH_f, kcal/mol:	-183.98
Dipole, Da:	1.55
IP(EA), eV:	-8.71(1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,5S)-2-hept-2-ynyl-6,6-dimethylbicyclo[3.1.1]heptane

Drug info:

PubChemData

Smile

B(CC[Si](C)(CC)CC)(CC[Si](C)(CC)CC)OC

DOS

IR

Vibrations