Geometry & MOs

Info

ID:	48166
PubChem CID:	10537634
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-103.65
Dipole, Da:	4.91
IP(EA), eV:	-9.7(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3aR)-1-methyl-3-oxo-1H-cyclohepta[c]furan-3a-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](OC(=O)[C@H]2[C@@H]1O2)COCC3=CC=CC=C3

DOS

IR

Vibrations