Geometry & MOs

Info

ID:	283277
PubChem CID:	103970749
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	-125.45
Dipole, Da:	1.93
IP(EA), eV:	-9.57(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,4-dimethylcyclohexylidene)propan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(=O)OCCCCCCl

DOS

IR

Vibrations