Geometry & MOs

Info

ID:	224254
PubChem CID:	85340818
Reduced:	ISiC7H15 (1)
Stoich.:	ABC7D15 (1)
Weight, g/mol:	254.134051
ΔH_f, kcal/mol:	-22.26
Dipole, Da:	2.0
IP(EA), eV:	-9.67(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfinyl]but-3-en-2-one

Drug info:

PubChemData

Smile

C[Si](C)(C)C=CCCI

DOS

IR

Vibrations