Geometry & MOs

Info

ID:	386297
PubChem CID:	134981320
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	238.175292
ΔH_f, kcal/mol:	-37.5
Dipole, Da:	3.6
IP(EA), eV:	-9.51(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-1-trimethylsilylpent-1-en-2-yl]cyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@H]1CCC(=O)C[C@H]1C2=CC=CC=C2

DOS

IR

Vibrations