Geometry & MOs

Info

ID:	146236
PubChem CID:	53657603
Reduced:	O5C12H14 (1)
Stoich.:	A5B12C14 (1)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	-193.2
Dipole, Da:	6.48
IP(EA), eV:	-9.42(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-5-(4-methylphenyl)cyclohex-3-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1O)C(=O)C)OCC(=O)OC

DOS

IR

Vibrations