Geometry & MOs

Info

ID:	411604
PubChem CID:	135084436
Reduced:	SiO3C12H24 (1)
Stoich.:	AB3C12D24 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-162.75
Dipole, Da:	2.47
IP(EA), eV:	-9.21(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroperoxybutyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene

Drug info:

PubChemData

Smile

C[C@]1([C@H](O1)C[C@H]2[C@@H](CCCO2)O)[Si](C)(C)C

DOS

IR

Vibrations