Geometry & MOs

Info

ID:	220746
PubChem CID:	85230838
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-77.61
Dipole, Da:	5.49
IP(EA), eV:	-9.24(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one

Drug info:

PubChemData

Smile

C=CCCCCC1=C2CCCCC2=COC1=O

DOS

IR

Vibrations