Geometry & MOs

Info

ID:	381204
PubChem CID:	134971862
Reduced:	O3H4C5 (2)
Stoich.:	A3B4C5 (2)
Weight, g/mol:	296.102414
ΔH_f, kcal/mol:	-219.74
Dipole, Da:	7.23
IP(EA), eV:	-10.26(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,4aR)-7-methyl-4-phenyl-3-(trifluoromethyl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1C(=O)O)O)COC2=O

DOS

IR

Vibrations