Geometry & MOs

Info

ID:	402167
PubChem CID:	135054706
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	362.136553
ΔH_f, kcal/mol:	-136.36
Dipole, Da:	2.45
IP(EA), eV:	-8.48(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2[C@]3(CCN2CC4=CC5=C(C=C43)OCO5)[C@H]([C@H]1O)O

DOS

IR

Vibrations