Geometry & MOs

Info

ID:	380411
PubChem CID:	134970855
Reduced:	O5C17H20 (1)
Stoich.:	A5B17C20 (1)
Weight, g/mol:	276.099774
ΔH_f, kcal/mol:	-191.43
Dipole, Da:	2.14
IP(EA), eV:	-8.76(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,5S)-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclopentane]-1'-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CCCC[C@@]12C3=CC4=C(C=C3CCO2)OCO4

DOS

IR

Vibrations