Geometry & MOs

Info

ID:	151033
PubChem CID:	53790730
Reduced:	OC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	436.297745
ΔH_f, kcal/mol:	-117.56
Dipole, Da:	2.41
IP(EA), eV:	-9.67(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,5-dimethyl-2-[(6R)-2,4,6-trimethylcyclohexa-2,4-diene-1-carbonyl]phenyl]methyl]-6-methylpyran-4-one;ethane

Drug info:

PubChemData

Smile

CCCCOC(C)C=CCCCCO

DOS

IR

Vibrations