Geometry & MOs

Info

ID:	392333
PubChem CID:	135014563
Reduced:	Si3O5C32H70 (1)
Stoich.:	A3B5C32D70 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-486.16
Dipole, Da:	0.89
IP(EA), eV:	-8.69(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R)-2-ethenyl-4,4-dimethylcyclopentyl]but-3-en-2-one

Drug info:

PubChemData

Smile

C[C@H](CCCCC[C@H]1[C@H](OC(O1)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations