Geometry & MOs

Info

ID:	402168
PubChem CID:	135054707
Reduced:	O7C19H22 (1)
Stoich.:	A7B19C22 (1)
Weight, g/mol:	302.115424
ΔH_f, kcal/mol:	-248.28
Dipole, Da:	7.9
IP(EA), eV:	-8.76(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5S,6R)-5-(4-methoxyphenyl)-7-oxo-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-6-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)[C@@H]2[C@H](C(=O)C3=C2CCCO3)C(=O)OC)OC

DOS

IR

Vibrations