Geometry & MOs

Info

ID:	389346
PubChem CID:	134992421
Reduced:	OSiN4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	40.32
Dipole, Da:	5.87
IP(EA), eV:	-10.01(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,7R,7aS)-3,7-dimethyl-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

C[Si](C)(C)OC1=CCC(C(C1)(C#N)C#N)(C#N)C#N

DOS

IR

Vibrations